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

C10H13N3O4 — CID 107586007

IUPAC2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1cncc(NC(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C10H13N3O4/c1-6-2-7(4-11-3-6)13-10(17)12-5-8(14)9(15)16/h2-4,8,14H,5H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyKOTKNQMURMRBAD-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.04
Rot. Bonds4

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

2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 107586007) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
PubChem CID107586007
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1cncc(NC(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C10H13N3O4/c1-6-2-7(4-11-3-6)13-10(17)12-5-8(14)9(15)16/h2-4,8,14H,5H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyKOTKNQMURMRBAD-UHFFFAOYSA-N
XLogP-0.04
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 107586158
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107265712
1-butyl-3-(5-methyl-3-pyridinyl)urea
CID 103739077
3-[(3-bromo-4-methylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167165
2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 66167337
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 66166738
(2S)-3-[(4-bromophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838136
(2S)-3-[(2-bromo-5-methylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840754

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid (CID 107586007) is 2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid is Cc1cncc(NC(=O)NCC(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The InChIKey is KOTKNQMURMRBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-2-7(4-11-3-6)13-10(17)12-5-8(14)9(15)16/h2-4,8,14H,5H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 107586007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).