(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid

C9H11N3O3 — CID 110836208

IUPAC(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid
SMILESCc1nccc(C(=O)N[C@@H](C)C(=O)O)n1
InChIInChI=1S/C9H11N3O3/c1-5(9(14)15)11-8(13)7-3-4-10-6(2)12-7/h3-5H,1-2H3,(H,11,13)(H,14,15)/t5-/m0/s1
InChIKeyRZKSPTQFLXLEAL-YFKPBYRVSA-N
MW209.20 g/mol
LogP-0.01
Rot. Bonds3

About (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid

(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid (PubChem CID 110836208) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid
PubChem CID110836208
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid
SMILESCc1nccc(C(=O)N[C@@H](C)C(=O)O)n1
InChIInChI=1S/C9H11N3O3/c1-5(9(14)15)11-8(13)7-3-4-10-6(2)12-7/h3-5H,1-2H3,(H,11,13)(H,14,15)/t5-/m0/s1
InChIKeyRZKSPTQFLXLEAL-YFKPBYRVSA-N
XLogP-0.01
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319
(4S)-4-[(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 99644169
methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 99803493
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
CID 110490256
(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
CID 122107922
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid (CID 110836208) is (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid is Cc1nccc(C(=O)N[C@@H](C)C(=O)O)n1.
What is the InChIKey of (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid?
The InChIKey is RZKSPTQFLXLEAL-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5(9(14)15)11-8(13)7-3-4-10-6(2)12-7/h3-5H,1-2H3,(H,11,13)(H,14,15)/t5-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid?
(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid has a molecular weight of 209.20 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110836208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).