N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide

C19H24N4O2 — CID 97333048

IUPACN-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide
SMILESC[C@H](Cc1ccccc1)n1cccc1C(=O)N[C@H]1CCN(C(N)=O)C1
InChIInChI=1S/C19H24N4O2/c1-14(12-15-6-3-2-4-7-15)23-10-5-8-17(23)18(24)21-16-9-11-22(13-16)19(20)25/h2-8,10,14,16H,9,11-13H2,1H3,(H2,20,25)(H,21,24)/t14-,16+/m1/s1
InChIKeyLSXLQEOTABDVLM-ZBFHGGJFSA-N
MW340.43 g/mol
LogP2.17
Rot. Bonds5

About N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide

N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide (PubChem CID 97333048) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide
PubChem CID97333048
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide
SMILESC[C@H](Cc1ccccc1)n1cccc1C(=O)N[C@H]1CCN(C(N)=O)C1
InChIInChI=1S/C19H24N4O2/c1-14(12-15-6-3-2-4-7-15)23-10-5-8-17(23)18(24)21-16-9-11-22(13-16)19(20)25/h2-8,10,14,16H,9,11-13H2,1H3,(H2,20,25)(H,21,24)/t14-,16+/m1/s1
InChIKeyLSXLQEOTABDVLM-ZBFHGGJFSA-N
XLogP2.17
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide with MolForge

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Related Compounds

benzyl (3R)-3-[(1-cyclopropylpyrrole-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 99945004
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 167931062
(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide
CID 97243727
(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone
CID 155952741
(3R)-3-[[(3R)-4-(4-chlorophenyl)-3-methylbutanoyl]amino]pyrrolidine-1-carboxamide
CID 97057305
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 18452994
N-(1-carbamoylpyrrolidin-3-yl)-3-phenoxypyridine-2-carboxamide
CID 131962368
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide?
The IUPAC name of N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide (CID 97333048) is N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide is C[C@H](Cc1ccccc1)n1cccc1C(=O)N[C@H]1CCN(C(N)=O)C1.
What is the InChIKey of N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide?
The InChIKey is LSXLQEOTABDVLM-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(12-15-6-3-2-4-7-15)23-10-5-8-17(23)18(24)21-16-9-11-22(13-16)19(20)25/h2-8,10,14,16H,9,11-13H2,1H3,(H2,20,25)(H,21,24)/t14-,16+/m1/s1.
What are the key properties of N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide?
N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 97333048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).