2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid

C14H25NO3 — CID 119161010

IUPAC2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid
SMILESCC(C)CC1(CNC(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)7-14(5-6-14)9-15-11(16)8-13(3,4)12(17)18/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyZNSYCXRTLGYHGT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds7

About 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid

2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid (PubChem CID 119161010) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid
PubChem CID119161010
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid
SMILESCC(C)CC1(CNC(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)7-14(5-6-14)9-15-11(16)8-13(3,4)12(17)18/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyZNSYCXRTLGYHGT-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid with MolForge

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Related Compounds

2-(methylamino)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 119788858
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119345128
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119821357
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
4-[(1-ethylcyclobutyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 114107533
2,2-dimethyl-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 113409591
5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703695
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114758016
2,2-dimethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759067
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid (CID 119161010) is 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid is CC(C)CC1(CNC(=O)CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid?
The InChIKey is ZNSYCXRTLGYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)7-14(5-6-14)9-15-11(16)8-13(3,4)12(17)18/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid?
2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 119161010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).