benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid

C16H22N2O6 — CID 91810202

IUPACbenzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
SMILESN[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H20N2O2.C2H2O4/c15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11;3-1(4)2(5)6/h1-3,6-7,12-13H,4-5,8-10,15H2,(H,16,17);(H,3,4)(H,5,6)/t12-,13+;/m1./s1
InChIKeyZHJNSNPCGGDJPE-KZCZEQIWSA-N
MW338.36 g/mol
LogP1.34
Rot. Bonds3

About benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid

benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid (PubChem CID 91810202) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid.

Molecular Properties

Compound Namebenzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
PubChem CID91810202
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Namebenzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
SMILESN[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H20N2O2.C2H2O4/c15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11;3-1(4)2(5)6/h1-3,6-7,12-13H,4-5,8-10,15H2,(H,16,17);(H,3,4)(H,5,6)/t12-,13+;/m1./s1
InChIKeyZHJNSNPCGGDJPE-KZCZEQIWSA-N
XLogP1.34
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
phenyl N-(2-aminocycloheptyl)carbamate
CID 63259010
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid?
The IUPAC name of benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid (CID 91810202) is benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid.
What is the SMILES notation for benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid?
The canonical SMILES for benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid is N[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid?
The InChIKey is ZHJNSNPCGGDJPE-KZCZEQIWSA-N. The full InChI is InChI=1S/C14H20N2O2.C2H2O4/c15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11;3-1(4)2(5)6/h1-3,6-7,12-13H,4-5,8-10,15H2,(H,16,17);(H,3,4)(H,5,6)/t12-,13+;/m1./s1.
What are the key properties of benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid?
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid has a molecular weight of 338.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid is sourced from PubChem (CID 91810202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).