2-[cyclopropyl(propylcarbamoyl)amino]acetic acid

C9H16N2O3 — CID 60828450

IUPAC2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
SMILESCCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-2-5-10-9(14)11(6-8(12)13)7-3-4-7/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyYUVHBHZPXLPQKO-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.65
Rot. Bonds5

About 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid

2-[cyclopropyl(propylcarbamoyl)amino]acetic acid (PubChem CID 60828450) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
PubChem CID60828450
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
SMILESCCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-2-5-10-9(14)11(6-8(12)13)7-3-4-7/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyYUVHBHZPXLPQKO-UHFFFAOYSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid (CID 60828450) is 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid is CCCNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid?
The InChIKey is YUVHBHZPXLPQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-5-10-9(14)11(6-8(12)13)7-3-4-7/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid?
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 60828450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).