1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid

C11H19NO3 — CID 115910126

IUPAC1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)C(C)CC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-7(2)8(3)6-9(13)12-11(4-5-11)10(14)15/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVDVPSVUZKLFXOV-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds5

About 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid

1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid (PubChem CID 115910126) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid
PubChem CID115910126
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid
SMILESCC(C)C(C)CC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-7(2)8(3)6-9(13)12-11(4-5-11)10(14)15/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVDVPSVUZKLFXOV-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethyl-4-methylpentanoyl)amino]cyclopropane-1-carboxylic acid
CID 115910068
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
CID 119176447
4-methyl-1-(3-methylbutanoylamino)cyclohexane-1-carboxylic acid
CID 43163143
1-[3-(ethylamino)butanoylamino]cyclobutane-1-carboxylic acid
CID 81161523
1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 102907182
1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 61160411
4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid
CID 62838707
1-[3-(aminomethyl)pentanoylamino]cycloheptane-1-carboxylic acid
CID 81087880
1-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202704
1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 83144099
1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
CID 115910145
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid (CID 115910126) is 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid is CC(C)C(C)CC(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is VDVPSVUZKLFXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)8(3)6-9(13)12-11(4-5-11)10(14)15/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid?
1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentanoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115910126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).