4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid

C14H25NO3 — CID 62041962

IUPAC4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCC1CCCC1
InChIInChI=1S/C14H25NO3/c1-14(2,10-9-13(17)18)15-12(16)8-7-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySINSEEMOJQOOCV-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds7

About 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid

4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid (PubChem CID 62041962) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
PubChem CID62041962
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCC1CCCC1
InChIInChI=1S/C14H25NO3/c1-14(2,10-9-13(17)18)15-12(16)8-7-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySINSEEMOJQOOCV-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid
CID 119357318
3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 60520430
N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499
N-(1-amino-2-methylpropan-2-yl)-3-cyclohexylpropanamide;hydrochloride
CID 119524224
4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119204002
3-cyclopentyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895541
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 104968032
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 102113261

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid (CID 62041962) is 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCC1CCCC1.
What is the InChIKey of 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid?
The InChIKey is SINSEEMOJQOOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,10-9-13(17)18)15-12(16)8-7-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid?
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 62041962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).