3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid

C11H20N2O3 — CID 79623575

IUPAC3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2,10(15)16)7-12-6-5-9(14)13-8-3-4-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHHQCXFQNDZZLGP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds7

About 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid

3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 79623575) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid
PubChem CID79623575
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2,10(15)16)7-12-6-5-9(14)13-8-3-4-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHHQCXFQNDZZLGP-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644717
N-cyclopropyl-3-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 104760412
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 79623755
N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
CID 79393786
2,2-dimethyl-3-[[3-oxo-3-(propylamino)propyl]amino]propanoic acid
CID 79624064
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
3-(cyanomethylamino)-N-cyclopropylpropanamide
CID 79394850
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid (CID 79623575) is 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNCCC(=O)NC1CC1)C(=O)O.
What is the InChIKey of 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is HHQCXFQNDZZLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,10(15)16)7-12-6-5-9(14)13-8-3-4-8/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid?
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79623575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).