2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid

C16H30N2O3 — CID 62406894

IUPAC2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
SMILESCCCCC(NC(=O)NC(CC)C1CCCCC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-5-11-14(15(19)20)18-16(21)17-13(4-2)12-9-7-6-8-10-12/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyCEHZVGCEKJQEAI-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.29
Rot. Bonds8

About 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid

2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid (PubChem CID 62406894) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
PubChem CID62406894
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
SMILESCCCCC(NC(=O)NC(CC)C1CCCCC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-5-11-14(15(19)20)18-16(21)17-13(4-2)12-9-7-6-8-10-12/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyCEHZVGCEKJQEAI-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclohexylpropylamino)hexanoic acid
CID 103249990
(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
CID 78989662
2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
CID 61480513
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
1-(1-cyclopropylpropyl)-3-propan-2-ylurea
CID 68521863
N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 54954839
2-(cyclohexylamino)heptanoic acid
CID 60998800

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid?
The IUPAC name of 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid (CID 62406894) is 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid?
The canonical SMILES for 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid is CCCCC(NC(=O)NC(CC)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid?
The InChIKey is CEHZVGCEKJQEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-5-11-14(15(19)20)18-16(21)17-13(4-2)12-9-7-6-8-10-12/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid?
2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 62406894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).