2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid

C12H21NO3 — CID 120606607

IUPAC2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
SMILESCCC(CC)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-4-9(5-2)11(14)13(10-6-7-10)8(3)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyOCSOUXAQYIEGSM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds6

About 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid

2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid (PubChem CID 120606607) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
PubChem CID120606607
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
SMILESCCC(CC)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-4-9(5-2)11(14)13(10-6-7-10)8(3)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyOCSOUXAQYIEGSM-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid (CID 120606607) is 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid is CCC(CC)C(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid?
The InChIKey is OCSOUXAQYIEGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-9(5-2)11(14)13(10-6-7-10)8(3)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid?
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 120606607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).