2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid

C11H19NO3 — CID 43467501

IUPAC2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-11(2,3)9(10(14)15)12-8(13)6-7-4-5-7/h7,9H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVDHLELAZBPBQSU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds4

About 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid

2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 43467501) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid
PubChem CID43467501
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-11(2,3)9(10(14)15)12-8(13)6-7-4-5-7/h7,9H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVDHLELAZBPBQSU-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(2R)-2-[(2-cyclobutylacetyl)amino]-3,3-dimethylbutanoic acid
CID 103162147
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43649140
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide
CID 145466463
2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane
CID 145466352
2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61161581
2-(4-aminocyclohexyl)-N-(3,3-dimethylbutan-2-yl)acetamide
CID 104830066
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091
2-(oxan-4-yl)-N-(2,2,5-trimethyl-4-oxohex-5-en-3-yl)acetamide
CID 145466143
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927837

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid (CID 43467501) is 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)CC1CC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is VDHLELAZBPBQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)9(10(14)15)12-8(13)6-7-4-5-7/h7,9H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid?
2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43467501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).