3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid

C16H30N2O3 — CID 114549080

IUPAC3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)9-12(8-13(19)20)18-14(21)17-11-6-7-16(4,5)10-11/h11-12H,6-10H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyQPUOCGLLYLKCRT-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.14
Rot. Bonds5

About 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid

3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid (PubChem CID 114549080) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid
PubChem CID114549080
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)9-12(8-13(19)20)18-14(21)17-11-6-7-16(4,5)10-11/h11-12H,6-10H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyQPUOCGLLYLKCRT-UHFFFAOYSA-N
XLogP3.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid
CID 113496888
5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106192144
3-[(3,3-dimethylcyclopentyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 114549071
2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine
CID 114544806
2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549087
(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829339
5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid
CID 113496880
2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549103
1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
CID 116656967
1-(4,4-dimethylcyclohexyl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111506844
2-bromo-N-(3,3-dimethylcyclopentyl)butanamide
CID 114544484
2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 114549013

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid?
The IUPAC name of 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid (CID 114549080) is 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid?
The canonical SMILES for 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid is CC(C)(C)CC(CC(=O)O)NC(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid?
The InChIKey is QPUOCGLLYLKCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)9-12(8-13(19)20)18-14(21)17-11-6-7-16(4,5)10-11/h11-12H,6-10H2,1-5H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid?
3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 114549080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).