2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid

C10H13N3O3 — CID 167791258

IUPAC2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid
SMILESCn1cnc(C(=O)NC2(CC(=O)O)CC2)c1
InChIInChI=1S/C10H13N3O3/c1-13-5-7(11-6-13)9(16)12-10(2-3-10)4-8(14)15/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15)
InChIKeyPPXXSRCTGLPHNL-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.16
Rot. Bonds4

About 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid

2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid (PubChem CID 167791258) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid
PubChem CID167791258
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid
SMILESCn1cnc(C(=O)NC2(CC(=O)O)CC2)c1
InChIInChI=1S/C10H13N3O3/c1-13-5-7(11-6-13)9(16)12-10(2-3-10)4-8(14)15/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15)
InChIKeyPPXXSRCTGLPHNL-UHFFFAOYSA-N
XLogP0.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid (CID 167791258) is 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid is Cn1cnc(C(=O)NC2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid?
The InChIKey is PPXXSRCTGLPHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-13-5-7(11-6-13)9(16)12-10(2-3-10)4-8(14)15/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid?
2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid is sourced from PubChem (CID 167791258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).