3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid

C11H19NO3 — CID 82323712

IUPAC3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)C(=O)N(CC(C)C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(2)10(13)12(9-4-5-9)6-8(3)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyRDXNPNFMBMILSQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.35
Rot. Bonds5

About 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid

3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid (PubChem CID 82323712) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
PubChem CID82323712
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)C(=O)N(CC(C)C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(2)10(13)12(9-4-5-9)6-8(3)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyRDXNPNFMBMILSQ-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323902
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897517
3-[cyclopropyl(thiane-4-carbonyl)amino]-2-methylpropanoic acid
CID 120535285
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
(2S)-3-[cyclopropyl-[(2S)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 95539140
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
(2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid
CID 124694297
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 82324129
3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid
CID 82323439

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid (CID 82323712) is 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid is CC(C)C(=O)N(CC(C)C(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is RDXNPNFMBMILSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)10(13)12(9-4-5-9)6-8(3)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).