3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid

C11H13N3O5 — CID 122087170

IUPAC3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCOC(=O)c1cncc(NC(=O)NCCC(=O)O)c1
InChIInChI=1S/C11H13N3O5/c1-19-10(17)7-4-8(6-12-5-7)14-11(18)13-3-2-9(15)16/h4-6H,2-3H2,1H3,(H,15,16)(H2,13,14,18)
InChIKeyRKLGEJVBSLLZQV-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.46
Rot. Bonds5

About 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid

3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 122087170) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid
PubChem CID122087170
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCOC(=O)c1cncc(NC(=O)NCCC(=O)O)c1
InChIInChI=1S/C11H13N3O5/c1-19-10(17)7-4-8(6-12-5-7)14-11(18)13-3-2-9(15)16/h4-6H,2-3H2,1H3,(H,15,16)(H2,13,14,18)
InChIKeyRKLGEJVBSLLZQV-UHFFFAOYSA-N
XLogP0.46
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid
CID 58757430
2-ethyl-2-[(5-methoxycarbonyl-3-pyridinyl)carbamoyl]butanoic acid
CID 126838936
5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63157485
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157529
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157813
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
3-methoxycarbonyl-5-(propylcarbamoylamino)benzoic acid
CID 163995662
3-[(4-chloro-3,5-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 122095209
methyl 5-[(2-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-3-carboxylate
CID 54371881
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid (CID 122087170) is 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid is COC(=O)c1cncc(NC(=O)NCCC(=O)O)c1.
What is the InChIKey of 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid?
The InChIKey is RKLGEJVBSLLZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-19-10(17)7-4-8(6-12-5-7)14-11(18)13-3-2-9(15)16/h4-6H,2-3H2,1H3,(H,15,16)(H2,13,14,18).
What are the key properties of 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid?
3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 267.24 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122087170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).