(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide

C12H16N4O2 — CID 103794450

IUPAC(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C12H16N4O2/c13-12(18)16-9-5-3-8(4-6-9)15-11(17)10-2-1-7-14-10/h3-6,10,14H,1-2,7H2,(H,15,17)(H3,13,16,18)/t10-/m1/s1
InChIKeyXZOVMNSLHRNRMA-SNVBAGLBSA-N
MW248.29 g/mol
LogP0.87
Rot. Bonds3

About (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide (PubChem CID 103794450) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
PubChem CID103794450
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C12H16N4O2/c13-12(18)16-9-5-3-8(4-6-9)15-11(17)10-2-1-7-14-10/h3-6,10,14H,1-2,7H2,(H,15,17)(H3,13,16,18)/t10-/m1/s1
InChIKeyXZOVMNSLHRNRMA-SNVBAGLBSA-N
XLogP0.87
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119308499

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide (CID 103794450) is (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide is NC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2)cc1.
What is the InChIKey of (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XZOVMNSLHRNRMA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-12(18)16-9-5-3-8(4-6-9)15-11(17)10-2-1-7-14-10/h3-6,10,14H,1-2,7H2,(H,15,17)(H3,13,16,18)/t10-/m1/s1.
What are the key properties of (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103794450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).