[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid

C15H26N2O4 — CID 151845320

IUPAC[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
SMILESO=C(O)N(CN(C(=O)O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26N2O4/c18-14(19)16(12-7-3-1-4-8-12)11-17(15(20)21)13-9-5-2-6-10-13/h12-13H,1-11H2,(H,18,19)(H,20,21)
InChIKeySHNKORZFYINMKG-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.57
Rot. Bonds4

About [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid

[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid (PubChem CID 151845320) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid.

Molecular Properties

Compound Name[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
PubChem CID151845320
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
SMILESO=C(O)N(CN(C(=O)O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26N2O4/c18-14(19)16(12-7-3-1-4-8-12)11-17(15(20)21)13-9-5-2-6-10-13/h12-13H,1-11H2,(H,18,19)(H,20,21)
InChIKeySHNKORZFYINMKG-UHFFFAOYSA-N
XLogP3.57
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
carbonochloridoyl(cyclohexyl)carbamic acid
CID 88834306
CID 87476940
CID 87476940
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104

Frequently Asked Questions

What is the IUPAC name of [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid?
The IUPAC name of [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid (CID 151845320) is [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid.
What is the SMILES notation for [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid?
The canonical SMILES for [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid is O=C(O)N(CN(C(=O)O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid?
The InChIKey is SHNKORZFYINMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-14(19)16(12-7-3-1-4-8-12)11-17(15(20)21)13-9-5-2-6-10-13/h12-13H,1-11H2,(H,18,19)(H,20,21).
What are the key properties of [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid?
[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid has a molecular weight of 298.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid is sourced from PubChem (CID 151845320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).