1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid

C15H28N2O3 — CID 61160800

IUPAC1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCCCC(N)C(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C15H28N2O3/c1-3-5-6-12(16)13(18)17-15(14(19)20)9-7-11(4-2)8-10-15/h11-12H,3-10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZYPQGNPWJQJZNJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.04
Rot. Bonds7

About 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid

1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 61160800) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid
PubChem CID61160800
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCCCC(N)C(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C15H28N2O3/c1-3-5-6-12(16)13(18)17-15(14(19)20)9-7-11(4-2)8-10-15/h11-12H,3-10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZYPQGNPWJQJZNJ-UHFFFAOYSA-N
XLogP2.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 103870909
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 43163264
4-ethyl-1-[(2-propan-2-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 43172614
4-ethyl-1-[2-(oxan-4-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120688305
(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide
CID 103950943
1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid
CID 81089146
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
2-[1-(2-aminohexanoylamino)cyclopentyl]acetic acid
CID 64702103
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[2-(carbamoylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 83113849

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid (CID 61160800) is 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid is CCCCC(N)C(=O)NC1(C(=O)O)CCC(CC)CC1.
What is the InChIKey of 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is ZYPQGNPWJQJZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-5-6-12(16)13(18)17-15(14(19)20)9-7-11(4-2)8-10-15/h11-12H,3-10,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid?
1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61160800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).