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

C11H13N3O5 — CID 107585817

IUPAC2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCc1cncc(NC(=O)NC(=O)COCC(=O)O)c1
InChIInChI=1S/C11H13N3O5/c1-7-2-8(4-12-3-7)13-11(18)14-9(15)5-19-6-10(16)17/h2-4H,5-6H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyBKSROASVHWCRIE-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.14
Rot. Bonds5

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

2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 107585817) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID107585817
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCc1cncc(NC(=O)NC(=O)COCC(=O)O)c1
InChIInChI=1S/C11H13N3O5/c1-7-2-8(4-12-3-7)13-11(18)14-9(15)5-19-6-10(16)17/h2-4H,5-6H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyBKSROASVHWCRIE-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
2-methoxy-N-(5-methyl-3-pyridinyl)acetamide
CID 103738953
2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328482
2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328874
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61329241
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-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
4,4-dimethyl-3-[(5-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107586010
2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107265722

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 107585817) is 2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid is Cc1cncc(NC(=O)NC(=O)COCC(=O)O)c1.
What is the InChIKey of 2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is BKSROASVHWCRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-7-2-8(4-12-3-7)13-11(18)14-9(15)5-19-6-10(16)17/h2-4H,5-6H2,1H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 267.24 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 107585817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).