ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate

C14H19N3O3 — CID 61179472

IUPACethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)17-11-7-5-10(6-8-11)16-13(18)12-4-3-9-15-12/h5-8,12,15H,2-4,9H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyUCUXQAHQFITQEQ-LBPRGKRZSA-N
MW277.32 g/mol
LogP1.95
Rot. Bonds4

About ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate

ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate (PubChem CID 61179472) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
PubChem CID61179472
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)17-11-7-5-10(6-8-11)16-13(18)12-4-3-9-15-12/h5-8,12,15H,2-4,9H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyUCUXQAHQFITQEQ-LBPRGKRZSA-N
XLogP1.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate (CID 61179472) is ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2)cc1.
What is the InChIKey of ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate?
The InChIKey is UCUXQAHQFITQEQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-14(19)17-11-7-5-10(6-8-11)16-13(18)12-4-3-9-15-12/h5-8,12,15H,2-4,9H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate?
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate has a molecular weight of 277.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 61179472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).