(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid

C13H19N3O3 — CID 107566198

IUPAC(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)c1ccccn1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-6-11(12(17)18)16-13(19)15-9(2)10-7-4-5-8-14-10/h4-5,7-9,11H,3,6H2,1-2H3,(H,17,18)(H2,15,16,19)/t9?,11-/m0/s1
InChIKeyDRDBUJWYEFLXPH-UMJHXOGRSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds6

About (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid

(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid (PubChem CID 107566198) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
PubChem CID107566198
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NC(C)c1ccccn1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-6-11(12(17)18)16-13(19)15-9(2)10-7-4-5-8-14-10/h4-5,7-9,11H,3,6H2,1-2H3,(H,17,18)(H2,15,16,19)/t9?,11-/m0/s1
InChIKeyDRDBUJWYEFLXPH-UMJHXOGRSA-N
XLogP1.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
4-methoxy-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 62480587
(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 107826189
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
2-amino-N-(1-pyridin-2-ylethyl)pentanamide
CID 43650304
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 107570243
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid
CID 107838423
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid (CID 107566198) is (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid is CCC[C@H](NC(=O)NC(C)c1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is DRDBUJWYEFLXPH-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-6-11(12(17)18)16-13(19)15-9(2)10-7-4-5-8-14-10/h4-5,7-9,11H,3,6H2,1-2H3,(H,17,18)(H2,15,16,19)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid?
(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107566198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).