benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate

C16H22N2O5 — CID 67867959

IUPACbenzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate
SMILESNCC(=O)N(C(=O)OCc1ccccc1)C1C(O)CCCC1O
InChIInChI=1S/C16H22N2O5/c17-9-14(21)18(15-12(19)7-4-8-13(15)20)16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,15,19-20H,4,7-10,17H2
InChIKeyRNFAQYUXLNGTHV-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.38
Rot. Bonds4

About benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate

benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate (PubChem CID 67867959) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate
PubChem CID67867959
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namebenzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate
SMILESNCC(=O)N(C(=O)OCc1ccccc1)C1C(O)CCCC1O
InChIInChI=1S/C16H22N2O5/c17-9-14(21)18(15-12(19)7-4-8-13(15)20)16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,15,19-20H,4,7-10,17H2
InChIKeyRNFAQYUXLNGTHV-UHFFFAOYSA-N
XLogP0.38
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl bicyclo[3.2.1]octane-8-carboxylate
CID 154453040
cis-benzyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 69436465
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate
CID 71733448
benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
CID 100967511
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-cyclohexyl-N-(nitromethyl)carbamate
CID 100967512
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate?
The IUPAC name of benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate (CID 67867959) is benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate?
The canonical SMILES for benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate is NCC(=O)N(C(=O)OCc1ccccc1)C1C(O)CCCC1O.
What is the InChIKey of benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate?
The InChIKey is RNFAQYUXLNGTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c17-9-14(21)18(15-12(19)7-4-8-13(15)20)16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,15,19-20H,4,7-10,17H2.
What are the key properties of benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate?
benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate has a molecular weight of 322.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate is sourced from PubChem (CID 67867959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).