methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate

C13H17N3O3 — CID 43712644

IUPACmethyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)16-10-6-4-9(5-7-10)15-12(17)11-3-2-8-14-11/h4-7,11,14H,2-3,8H2,1H3,(H,15,17)(H,16,18)
InChIKeySBCLMEWFHUVSMW-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.56
Rot. Bonds3

About methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate

methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate (PubChem CID 43712644) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
PubChem CID43712644
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)16-10-6-4-9(5-7-10)15-12(17)11-3-2-8-14-11/h4-7,11,14H,2-3,8H2,1H3,(H,15,17)(H,16,18)
InChIKeySBCLMEWFHUVSMW-UHFFFAOYSA-N
XLogP1.56
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
methylidene-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-[4-(pyrrolidine-2-carbonylamino)phenyl]azanium
CID 90882454
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280457
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate (CID 43712644) is methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate?
The InChIKey is SBCLMEWFHUVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-13(18)16-10-6-4-9(5-7-10)15-12(17)11-3-2-8-14-11/h4-7,11,14H,2-3,8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate?
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate has a molecular weight of 263.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate is sourced from PubChem (CID 43712644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).