2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid

C9H11N3O3 — CID 107265694

IUPAC2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
SMILESCc1cncc(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C9H11N3O3/c1-6-2-7(4-10-3-6)12-9(15)11-5-8(13)14/h2-4H,5H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyREIVXPGNZYEZGF-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.60
Rot. Bonds3

About 2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid

2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid (PubChem CID 107265694) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
PubChem CID107265694
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
SMILESCc1cncc(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C9H11N3O3/c1-6-2-7(4-10-3-6)12-9(15)11-5-8(13)14/h2-4H,5H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyREIVXPGNZYEZGF-UHFFFAOYSA-N
XLogP0.60
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107586007
1-butyl-3-(5-methyl-3-pyridinyl)urea
CID 103739077
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 107584595
2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107585817
4,4-dimethyl-3-[(5-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107586010
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107265722
2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107265702
(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107265712
(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)carbamoylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid (CID 107265694) is 2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid is Cc1cncc(NC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid?
The InChIKey is REIVXPGNZYEZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-6-2-7(4-10-3-6)12-9(15)11-5-8(13)14/h2-4H,5H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid?
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid is sourced from PubChem (CID 107265694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).