2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid

C12H17N3O3 — CID 107265702

IUPAC2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1cncc(NC(=O)N(CC(=O)O)C(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-8(2)15(7-11(16)17)12(18)14-10-4-9(3)5-13-6-10/h4-6,8H,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyVFQJNHPFNIPCOJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.72
Rot. Bonds4

About 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid

2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 107265702) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
PubChem CID107265702
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1cncc(NC(=O)N(CC(=O)O)C(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-8(2)15(7-11(16)17)12(18)14-10-4-9(3)5-13-6-10/h4-6,8H,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyVFQJNHPFNIPCOJ-UHFFFAOYSA-N
XLogP1.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 79049906
2-[(2,6-dibromo-4-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61185909
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107265712
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid
CID 115378571
4,4-dimethyl-3-[(5-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107586010
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
2-chloro-N-(5-methyl-3-pyridinyl)propanamide
CID 103881690
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107586007
(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 107586158

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid (CID 107265702) is 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid is Cc1cncc(NC(=O)N(CC(=O)O)C(C)C)c1.
What is the InChIKey of 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is VFQJNHPFNIPCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)15(7-11(16)17)12(18)14-10-4-9(3)5-13-6-10/h4-6,8H,7H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid?
2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 107265702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).