2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid

C16H28N2O4 — CID 70554590

IUPAC2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
SMILESO=C(O)N(CCN(C(=O)O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O4/c19-15(20)17(13-7-3-1-4-8-13)11-12-18(16(21)22)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)(H,21,22)
InChIKeyAPCNSQQQOPRQJE-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.61
Rot. Bonds5

About 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid

2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid (PubChem CID 70554590) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid.

Molecular Properties

Compound Name2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
PubChem CID70554590
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
SMILESO=C(O)N(CCN(C(=O)O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O4/c19-15(20)17(13-7-3-1-4-8-13)11-12-18(16(21)22)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)(H,21,22)
InChIKeyAPCNSQQQOPRQJE-UHFFFAOYSA-N
XLogP3.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
CID 151845320
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-(2-aminoethyl)-N-cyclopentylcyclohexanecarboxamide
CID 63754803
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
3-aminopropyl-[(4Z)-cyclooct-4-en-1-yl]carbamic acid;hydrochloride
CID 176888816
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034

Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid?
The IUPAC name of 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid (CID 70554590) is 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid.
What is the SMILES notation for 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid?
The canonical SMILES for 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid is O=C(O)N(CCN(C(=O)O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid?
The InChIKey is APCNSQQQOPRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c19-15(20)17(13-7-3-1-4-8-13)11-12-18(16(21)22)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)(H,21,22).
What are the key properties of 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid?
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid has a molecular weight of 312.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid is sourced from PubChem (CID 70554590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).