methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate

C9H16N2O4 — CID 123481327

IUPACmethyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NC(C(N)=O)C1CCOCC1
InChIInChI=1S/C9H16N2O4/c1-14-9(13)11-7(8(10)12)6-2-4-15-5-3-6/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyRVOXPTSAPJCBNG-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.38
Rot. Bonds3

About methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate

methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate (PubChem CID 123481327) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate
PubChem CID123481327
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NC(C(N)=O)C1CCOCC1
InChIInChI=1S/C9H16N2O4/c1-14-9(13)11-7(8(10)12)6-2-4-15-5-3-6/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyRVOXPTSAPJCBNG-UHFFFAOYSA-N
XLogP-0.38
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]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

methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate
CID 59470809
S-sulfanyl 2-(methoxycarbonylamino)-2-(oxan-4-yl)ethanethioate
CID 123667070
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetate
CID 42614608
methyl N-[(1S)-2-(2-tert-butylpyrrolidin-1-yl)-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 163669024
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetamide
CID 60788193
ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
CID 143630049
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4S)-oxepan-4-yl]acetic acid
CID 129322931
methyl N-[2,2-dimethyl-1-(oxan-4-yl)butyl]carbamate
CID 130436609
methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 90196570
methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
CID 118066650
(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate (CID 123481327) is methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate is COC(=O)NC(C(N)=O)C1CCOCC1.
What is the InChIKey of methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate?
The InChIKey is RVOXPTSAPJCBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-14-9(13)11-7(8(10)12)6-2-4-15-5-3-6/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate?
methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate has a molecular weight of 216.24 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 123481327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).