2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid

C12H20N2O3 — CID 103997573

IUPAC2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
SMILESCC(CNC(=O)N(CC(=O)O)C1CC1)C1CC1
InChIInChI=1S/C12H20N2O3/c1-8(9-2-3-9)6-13-12(17)14(7-11(15)16)10-4-5-10/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyOBFODHZUDQYOOE-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds6

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

2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid (PubChem CID 103997573) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
PubChem CID103997573
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
SMILESCC(CNC(=O)N(CC(=O)O)C1CC1)C1CC1
InChIInChI=1S/C12H20N2O3/c1-8(9-2-3-9)6-13-12(17)14(7-11(15)16)10-4-5-10/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyOBFODHZUDQYOOE-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid (CID 103997573) is 2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid is CC(CNC(=O)N(CC(=O)O)C1CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid?
The InChIKey is OBFODHZUDQYOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(9-2-3-9)6-13-12(17)14(7-11(15)16)10-4-5-10/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid?
2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 103997573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).