(2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide

C15H27N5O3 — CID 170017491

IUPAC(2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
SMILESCC1(CC(NN)C(=O)N[C@@H](C[C@@H]2CCCNC2=O)C(N)=O)CC1
InChIInChI=1S/C15H27N5O3/c1-15(4-5-15)8-11(20-17)14(23)19-10(12(16)21)7-9-3-2-6-18-13(9)22/h9-11,20H,2-8,17H2,1H3,(H2,16,21)(H,18,22)(H,19,23)/t9-,10-,11?/m0/s1
InChIKeyUCCHNWTWLIGYJC-QRHSGQBVSA-N
MW325.41 g/mol
LogP-1.11
Rot. Bonds8

About (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide

(2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide (PubChem CID 170017491) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
PubChem CID170017491
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC Name(2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
SMILESCC1(CC(NN)C(=O)N[C@@H](C[C@@H]2CCCNC2=O)C(N)=O)CC1
InChIInChI=1S/C15H27N5O3/c1-15(4-5-15)8-11(20-17)14(23)19-10(12(16)21)7-9-3-2-6-18-13(9)22/h9-11,20H,2-8,17H2,1H3,(H2,16,21)(H,18,22)(H,19,23)/t9-,10-,11?/m0/s1
InChIKeyUCCHNWTWLIGYJC-QRHSGQBVSA-N
XLogP-1.11
TPSA139.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-1.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide with MolForge

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Related Compounds

(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 166893555
tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360
[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate
CID 162478928
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-(ethenylamino)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 166893657
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
CID 166840656
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylpentanamide;methanesulfonic acid
CID 175731532
(2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid
CID 166744926
2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid
CID 175458213
(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 167203166
2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 162479438
(4,4-difluorocyclohexyl) N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 169081621
methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458281

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide?
The IUPAC name of (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide (CID 170017491) is (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide is CC1(CC(NN)C(=O)N[C@@H](C[C@@H]2CCCNC2=O)C(N)=O)CC1.
What is the InChIKey of (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide?
The InChIKey is UCCHNWTWLIGYJC-QRHSGQBVSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-15(4-5-15)8-11(20-17)14(23)19-10(12(16)21)7-9-3-2-6-18-13(9)22/h9-11,20H,2-8,17H2,1H3,(H2,16,21)(H,18,22)(H,19,23)/t9-,10-,11?/m0/s1.
What are the key properties of (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide?
(2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide has a molecular weight of 325.41 g/mol, XLogP of -1.11, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 170017491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).