(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide

C13H22N4O3 — CID 166840656

IUPAC(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
SMILESNC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C13H22N4O3/c14-9(5-7-1-2-7)13(20)17-10(11(15)18)6-8-3-4-16-12(8)19/h7-10H,1-6,14H2,(H2,15,18)(H,16,19)(H,17,20)/t8-,9-,10-/m0/s1
InChIKeyQEFITRDKSWUDJC-GUBZILKMSA-N
MW282.34 g/mol
LogP-1.39
Rot. Bonds7

About (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide

(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide (PubChem CID 166840656) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
PubChem CID166840656
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
SMILESNC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C13H22N4O3/c14-9(5-7-1-2-7)13(20)17-10(11(15)18)6-8-3-4-16-12(8)19/h7-10H,1-6,14H2,(H2,15,18)(H,16,19)(H,17,20)/t8-,9-,10-/m0/s1
InChIKeyQEFITRDKSWUDJC-GUBZILKMSA-N
XLogP-1.39
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 162478934
methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458281
(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-amino-N-[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-3-cyclopropylpropanamide
CID 170431086
2-amino-N-[4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-3-cyclopropylpropanamide;hydrochloride
CID 170431093
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
CID 167203166
(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 166893555
N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropyl-2-[3-(3,5-difluorophenyl)propanoylamino]propanamide
CID 175458580
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
2-[[(2S)-2-amino-4-fluoro-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 175871162

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide (CID 166840656) is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide is NC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](N)CC1CC1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide?
The InChIKey is QEFITRDKSWUDJC-GUBZILKMSA-N. The full InChI is InChI=1S/C13H22N4O3/c14-9(5-7-1-2-7)13(20)17-10(11(15)18)6-8-3-4-16-12(8)19/h7-10H,1-6,14H2,(H2,15,18)(H,16,19)(H,17,20)/t8-,9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide?
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide has a molecular weight of 282.34 g/mol, XLogP of -1.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide is sourced from PubChem (CID 166840656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).