4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid

C16H29NO3 — CID 119204002

IUPAC4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(CC1CCCCC1)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C16H29NO3/c1-12(11-13-7-5-4-6-8-13)15(20)17-16(2,3)10-9-14(18)19/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRUBPQQAPNJOHBL-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.35
Rot. Bonds7

About 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid

4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid (PubChem CID 119204002) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid
PubChem CID119204002
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(CC1CCCCC1)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C16H29NO3/c1-12(11-13-7-5-4-6-8-13)15(20)17-16(2,3)10-9-14(18)19/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRUBPQQAPNJOHBL-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 119198955
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
4-(1-cyclopropylethylcarbamoylamino)-4-methylpentanoic acid
CID 62047793
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532
4-(azepane-2-carbonylamino)-4-methylpentanoic acid
CID 64568351
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
4-methyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 112700739
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 62049630
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
6-cyclohexyl-5-methylhexanoic acid
CID 70072548
6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
CID 103159401

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid (CID 119204002) is 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid is CC(CC1CCCCC1)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is RUBPQQAPNJOHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(11-13-7-5-4-6-8-13)15(20)17-16(2,3)10-9-14(18)19/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid?
4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119204002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).