(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid

C11H15N3O4 — CID 107838423

IUPAC(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC[C@H](O)C(=O)O)c1ccccn1
InChIInChI=1S/C11H15N3O4/c1-7(8-4-2-3-5-12-8)14-11(18)13-6-9(15)10(16)17/h2-5,7,9,15H,6H2,1H3,(H,16,17)(H2,13,14,18)/t7?,9-/m0/s1
InChIKeyXSESEKSAGPXUDE-NETXQHHPSA-N
MW253.26 g/mol
LogP-0.11
Rot. Bonds5

About (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid

(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid (PubChem CID 107838423) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid
PubChem CID107838423
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC[C@H](O)C(=O)O)c1ccccn1
InChIInChI=1S/C11H15N3O4/c1-7(8-4-2-3-5-12-8)14-11(18)13-6-9(15)10(16)17/h2-5,7,9,15H,6H2,1H3,(H,16,17)(H2,13,14,18)/t7?,9-/m0/s1
InChIKeyXSESEKSAGPXUDE-NETXQHHPSA-N
XLogP-0.11
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-pyridin-2-ylethylcarbamoylamino)methyl]pentanoic acid
CID 81069764
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
2-hydroxy-3-[1-(2-methylphenyl)ethylcarbamoylamino]propanoic acid
CID 66167363
1-(4-phenylbutyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36520752
(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 107566198
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 107826189
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
CID 94656519
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid (CID 107838423) is (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid is CC(NC(=O)NC[C@H](O)C(=O)O)c1ccccn1.
What is the InChIKey of (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid?
The InChIKey is XSESEKSAGPXUDE-NETXQHHPSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(8-4-2-3-5-12-8)14-11(18)13-6-9(15)10(16)17/h2-5,7,9,15H,6H2,1H3,(H,16,17)(H2,13,14,18)/t7?,9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid?
(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 107838423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).