(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid

C13H17N3O3 — CID 69066892

IUPAC(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CC[C@H](NCc2ccccn2)C1=O
InChIInChI=1S/C13H17N3O3/c1-9(13(18)19)16-7-5-11(12(16)17)15-8-10-4-2-3-6-14-10/h2-4,6,9,11,15H,5,7-8H2,1H3,(H,18,19)/t9-,11-/m0/s1
InChIKeyDNWGQWOJXNPTTM-ONGXEEELSA-N
MW263.30 g/mol
LogP0.25
Rot. Bonds5

About (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid

(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid (PubChem CID 69066892) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid
PubChem CID69066892
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CC[C@H](NCc2ccccn2)C1=O
InChIInChI=1S/C13H17N3O3/c1-9(13(18)19)16-7-5-11(12(16)17)15-8-10-4-2-3-6-14-10/h2-4,6,9,11,15H,5,7-8H2,1H3,(H,18,19)/t9-,11-/m0/s1
InChIKeyDNWGQWOJXNPTTM-ONGXEEELSA-N
XLogP0.25
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
CID 43636248
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
2-[3-[(6-chloronaphthalen-2-yl)sulfonyl-(pyridin-2-ylmethyl)amino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 22016949
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
3-(pyridin-2-ylmethylamino)azepan-2-one
CID 43199271
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
1-butan-2-yl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid (CID 69066892) is (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid is C[C@@H](C(=O)O)N1CC[C@H](NCc2ccccn2)C1=O.
What is the InChIKey of (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid?
The InChIKey is DNWGQWOJXNPTTM-ONGXEEELSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(13(18)19)16-7-5-11(12(16)17)15-8-10-4-2-3-6-14-10/h2-4,6,9,11,15H,5,7-8H2,1H3,(H,18,19)/t9-,11-/m0/s1.
What are the key properties of (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid?
(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid has a molecular weight of 263.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 69066892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).