[4-(propoxycarbonylamino)cyclohexyl]carbamic acid

C11H20N2O4 — CID 139823141

IUPAC[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
SMILESCCCOC(=O)NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-7-17-11(16)13-9-5-3-8(4-6-9)12-10(14)15/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyDFPSLJYFFMVXEA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.70
Rot. Bonds4

About [4-(propoxycarbonylamino)cyclohexyl]carbamic acid

[4-(propoxycarbonylamino)cyclohexyl]carbamic acid (PubChem CID 139823141) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is [4-(propoxycarbonylamino)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
PubChem CID139823141
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
SMILESCCCOC(=O)NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-2-7-17-11(16)13-9-5-3-8(4-6-9)12-10(14)15/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyDFPSLJYFFMVXEA-UHFFFAOYSA-N
XLogP1.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, N-cyclohexyl-, ethyl ester
CID 95183
Carbamic acid, N,N'-1,6-hexanediylbis-, C,C'-diethyl ester
CID 76472
methyl N-[4-(methoxycarbonylamino)cyclohexyl]carbamate
CID 286634
Cis tert-Butyl 4-aminocyclohexylcarbamate
CID 2756050
Cyclohexyl-carbamic acid hexyl ester
CID 10998746
tert-butyl N-[4-(methylamino)cyclohexyl]carbamate
CID 21882598
ethyl N-(4-aminocyclohexyl)carbamate
CID 22273209
Butyl N-cyclohexylcarbamate
CID 3293033
Isopropyl N-cyclohexylcarbamate
CID 4153742
2-Hydroxyethyl cyclohexylcarbamate
CID 232639
ethyl N-[5-(ethoxycarbonylamino)-1-fluoropentan-2-yl]carbamate
CID 88794646
6-(2-Fluoroethoxycarbonylamino)hexylcarbamic acid
CID 89036343

Frequently Asked Questions

What is the IUPAC name of [4-(propoxycarbonylamino)cyclohexyl]carbamic acid?
The IUPAC name of [4-(propoxycarbonylamino)cyclohexyl]carbamic acid (CID 139823141) is [4-(propoxycarbonylamino)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(propoxycarbonylamino)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(propoxycarbonylamino)cyclohexyl]carbamic acid is CCCOC(=O)NC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-(propoxycarbonylamino)cyclohexyl]carbamic acid?
The InChIKey is DFPSLJYFFMVXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-7-17-11(16)13-9-5-3-8(4-6-9)12-10(14)15/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of [4-(propoxycarbonylamino)cyclohexyl]carbamic acid?
[4-(propoxycarbonylamino)cyclohexyl]carbamic acid has a molecular weight of 244.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propoxycarbonylamino)cyclohexyl]carbamic acid is sourced from PubChem (CID 139823141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).