5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid

C16H30N2O3 — CID 82845189

IUPAC5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid
SMILESCCC1CCC(CNC(=O)NC(C)CCCC(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-3-13-7-9-14(10-8-13)11-17-16(21)18-12(2)5-4-6-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyHTSGKKZPDXQFAK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.15
Rot. Bonds8

About 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid

5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid (PubChem CID 82845189) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid
PubChem CID82845189
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid
SMILESCCC1CCC(CNC(=O)NC(C)CCCC(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-3-13-7-9-14(10-8-13)11-17-16(21)18-12(2)5-4-6-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyHTSGKKZPDXQFAK-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclobutylmethylcarbamoylamino)hexanoic acid
CID 82846581
3-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244224
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
5-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 82846572
(2S)-2-(cyclopropylmethylcarbamoylamino)-3-methylpentanoic acid
CID 61180924
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
5-(3-ethylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848932
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid (CID 82845189) is 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid is CCC1CCC(CNC(=O)NC(C)CCCC(=O)O)CC1.
What is the InChIKey of 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid?
The InChIKey is HTSGKKZPDXQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-13-7-9-14(10-8-13)11-17-16(21)18-12(2)5-4-6-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid?
5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylcyclohexyl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 82845189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).