2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid

C14H25NO3 — CID 119198955

IUPAC2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-4-14(3,13(17)18)15-12(16)10(2)9-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOMQRMCCUDKXEAA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid

2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid (PubChem CID 119198955) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
PubChem CID119198955
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-4-14(3,13(17)18)15-12(16)10(2)9-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOMQRMCCUDKXEAA-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119204002
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532
2-methyl-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120686254
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
CID 119199192
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
(2S)-2-[[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylpentanoic acid
CID 68802873
tert-butyl N-[3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 68714876
3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide
CID 122152789
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid (CID 119198955) is 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)C(C)CC1CCCC1)C(=O)O.
What is the InChIKey of 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid?
The InChIKey is OMQRMCCUDKXEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-14(3,13(17)18)15-12(16)10(2)9-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid?
2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 119198955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).