(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid

C15H21N3O3 — CID 70302822

IUPAC(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)[C@H](Nc1ccccn1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-10(2)13(17-12-7-3-4-8-16-12)14(19)18-9-5-6-11(18)15(20)21/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,16,17)(H,20,21)/t11-,13-/m0/s1
InChIKeyHVSFCXGECUVDLD-AAEUAGOBSA-N
MW291.35 g/mol
LogP1.59
Rot. Bonds5

About (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 70302822) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID70302822
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)[C@H](Nc1ccccn1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-10(2)13(17-12-7-3-4-8-16-12)14(19)18-9-5-6-11(18)15(20)21/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,16,17)(H,20,21)/t11-,13-/m0/s1
InChIKeyHVSFCXGECUVDLD-AAEUAGOBSA-N
XLogP1.59
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-benzamido-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 135315648
(2S)-1-[(2S)-2-benzamido-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 126678475
(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 164643877
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
CID 18623712
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
1-[4-methyl-2-[[3-[[2-(pyridin-2-ylamino)ethylamino]methyl]-1,2,4-thiadiazol-5-yl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 142097680
1-[2-[[(2R)-2,3-bis(benzoylsulfanyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 13322408
1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 59706248
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid (CID 70302822) is (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid is CC(C)[C@H](Nc1ccccn1)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HVSFCXGECUVDLD-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)13(17-12-7-3-4-8-16-12)14(19)18-9-5-6-11(18)15(20)21/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,16,17)(H,20,21)/t11-,13-/m0/s1.
What are the key properties of (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70302822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).