2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate

C9H17N3O4 — CID 83209217

IUPAC2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
SMILESCOC1CNC(C(=O)NCCOC(N)=O)C1
InChIInChI=1S/C9H17N3O4/c1-15-6-4-7(12-5-6)8(13)11-2-3-16-9(10)14/h6-7,12H,2-5H2,1H3,(H2,10,14)(H,11,13)
InChIKeyBAKCMKSDESOWBW-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.43
Rot. Bonds5

About 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate

2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate (PubChem CID 83209217) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
PubChem CID83209217
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
SMILESCOC1CNC(C(=O)NCCOC(N)=O)C1
InChIInChI=1S/C9H17N3O4/c1-15-6-4-7(12-5-6)8(13)11-2-3-16-9(10)14/h6-7,12H,2-5H2,1H3,(H2,10,14)(H,11,13)
InChIKeyBAKCMKSDESOWBW-UHFFFAOYSA-N
XLogP-1.43
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl 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

N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61276211
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215073
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
CID 130657923
N-[2-(ethylsulfamoyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 103833077
4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 79748999
4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55176000
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215048
N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833245
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 106134352
4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 81072617

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate (CID 83209217) is 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate is COC1CNC(C(=O)NCCOC(N)=O)C1.
What is the InChIKey of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate?
The InChIKey is BAKCMKSDESOWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-15-6-4-7(12-5-6)8(13)11-2-3-16-9(10)14/h6-7,12H,2-5H2,1H3,(H2,10,14)(H,11,13).
What are the key properties of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate?
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate has a molecular weight of 231.25 g/mol, XLogP of -1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83209217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).