4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C12H21NO3 — CID 58376707

IUPAC4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCCN(C(=O)CC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c1-4-7-13(9-5-6-9)10(14)8-12(2,3)11(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyLBZSUPIQZYBVQX-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds6

About 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 58376707) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID58376707
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCCN(C(=O)CC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c1-4-7-13(9-5-6-9)10(14)8-12(2,3)11(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyLBZSUPIQZYBVQX-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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Related Compounds

3-[Methyl(propan-2-yl)carbamoyl]propanoic acid
CID 16787139
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60662230
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 61605781
4-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299851
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299852
4-[Butyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302073
2,2-Dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 65302074
2,2-Dimethyl-4-oxo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 65302372
2,2-Dimethyl-4-oxo-4-[pentan-3-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 65302521
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302611
2,2-Dimethyl-4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutanoic acid
CID 65535783
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497626

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 58376707) is 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CCCN(C(=O)CC(C)(C)C(=O)O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is LBZSUPIQZYBVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-7-13(9-5-6-9)10(14)8-12(2,3)11(15)16/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic 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 4-[cyclopropyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 58376707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).