3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid

C9H16N2O3 — CID 115427935

IUPAC3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1(N)CC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-8(2,7(13)14)5-11-6(12)9(10)3-4-9/h3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJIROWZDURKESLC-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.30
Rot. Bonds4

About 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid

3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 115427935) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID115427935
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1(N)CC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-8(2,7(13)14)5-11-6(12)9(10)3-4-9/h3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJIROWZDURKESLC-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789332
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
CID 114285703
3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65456793
3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 115427950
2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308644
1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66172259
1-amino-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 134692608
2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 115428682
3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298
1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119809809
1-amino-N-(5,5-dimethylhexyl)cyclopropane-1-carboxamide
CID 119775725
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 106703571

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid (CID 115427935) is 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1(N)CC1)C(=O)O.
What is the InChIKey of 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is JIROWZDURKESLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-8(2,7(13)14)5-11-6(12)9(10)3-4-9/h3-5,10H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).