(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid

C12H17N3O4 — CID 80756722

IUPAC(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
SMILESCN(CCc1ccncc1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-15(7-4-9-2-5-13-6-3-9)12(19)14-10(8-16)11(17)18/h2-3,5-6,10,16H,4,7-8H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyWNQVAIPIYAMVTK-SNVBAGLBSA-N
MW267.28 g/mol
LogP-0.29
Rot. Bonds6

About (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid (PubChem CID 80756722) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
PubChem CID80756722
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
SMILESCN(CCc1ccncc1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-15(7-4-9-2-5-13-6-3-9)12(19)14-10(8-16)11(17)18/h2-3,5-6,10,16H,4,7-8H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyWNQVAIPIYAMVTK-SNVBAGLBSA-N
XLogP-0.29
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]butanoic acid
CID 61227572
(2S)-3-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487158
(2S)-2-hydroxy-3-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 107838620
(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756242
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
CID 62966262
(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
CID 80756409
N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride
CID 119958504
2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61327143
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-acetamido-4-pyridin-4-ylbutanoic acid
CID 18975889

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid (CID 80756722) is (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid is CN(CCc1ccncc1)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid?
The InChIKey is WNQVAIPIYAMVTK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15(7-4-9-2-5-13-6-3-9)12(19)14-10(8-16)11(17)18/h2-3,5-6,10,16H,4,7-8H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 80756722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).