(1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

C17H24N4O3 — CID 175840772

IUPAC(1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
SMILESNC(=O)C(C[C@@H]1CCNC1=O)NC(=O)[C@H]1NC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H24N4O3/c18-15(22)12(6-10-3-4-19-16(10)23)21-17(24)14-13-9-2-1-8(5-9)11(13)7-20-14/h1-2,8-14,20H,3-7H2,(H2,18,22)(H,19,23)(H,21,24)/t8-,9+,10+,11-,12?,13+,14+/m1/s1
InChIKeyRHORPABMHKIXFA-IXOVSIHQSA-N
MW332.40 g/mol
LogP-1.11
Rot. Bonds5

About (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

(1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (PubChem CID 175840772) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.

Molecular Properties

Compound Name(1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
PubChem CID175840772
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
SMILESNC(=O)C(C[C@@H]1CCNC1=O)NC(=O)[C@H]1NC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H24N4O3/c18-15(22)12(6-10-3-4-19-16(10)23)21-17(24)14-13-9-2-1-8(5-9)11(13)7-20-14/h1-2,8-14,20H,3-7H2,(H2,18,22)(H,19,23)(H,21,24)/t8-,9+,10+,11-,12?,13+,14+/m1/s1
InChIKeyRHORPABMHKIXFA-IXOVSIHQSA-N
XLogP-1.11
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 167203166
(1R,2S,3S,6R,7S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-[(2S)-3,3-dimethyl-2-(oxetane-3-carbonylamino)butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 167424899
(1R,2S,3S,6R,7S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 166466282
N-[(2S)-1-[(1R,2S,3S,6R,7S)-3-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3,3-dimethyl-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 175840745
(1R,2S,3S,6R,7S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-[(2S,3R)-3-(difluoromethoxy)-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 166466498
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
CID 166840656
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
3-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 167424889
methyl (2S)-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]propanoate
CID 162479022
N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 175890945
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylpentanamide;methanesulfonic acid
CID 175731532
tert-butyl (1S,2S,3S,6R,7R,8R,10S)-3-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]-9,9-difluoro-4-azatetracyclo[5.3.1.02,6.08,10]undecane-4-carboxylate
CID 167425072

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
The IUPAC name of (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (CID 175840772) is (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.
What is the SMILES notation for (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
The canonical SMILES for (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is NC(=O)C(C[C@@H]1CCNC1=O)NC(=O)[C@H]1NC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
The InChIKey is RHORPABMHKIXFA-IXOVSIHQSA-N. The full InChI is InChI=1S/C17H24N4O3/c18-15(22)12(6-10-3-4-19-16(10)23)21-17(24)14-13-9-2-1-8(5-9)11(13)7-20-14/h1-2,8-14,20H,3-7H2,(H2,18,22)(H,19,23)(H,21,24)/t8-,9+,10+,11-,12?,13+,14+/m1/s1.
What are the key properties of (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
(1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of -1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is sourced from PubChem (CID 175840772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).