(2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide

C26H28ClN3O3 — CID 10479641

IUPAC(2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2cc(Cl)ccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C26H28ClN3O3/c1-30(16-17-5-3-2-4-6-17)26(33)24(29-25(32)23-14-22(31)15-28-23)12-18-7-8-20-13-21(27)10-9-19(20)11-18/h2-11,13,22-24,28,31H,12,14-16H2,1H3,(H,29,32)/t22-,23+,24+/m1/s1
InChIKeyTYBUPVYSQVVIIC-SGNDLWITSA-N
MW465.98 g/mol
LogP2.90
Rot. Bonds7

About (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 10479641) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID10479641
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC Name(2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2cc(Cl)ccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C26H28ClN3O3/c1-30(16-17-5-3-2-4-6-17)26(33)24(29-25(32)23-14-22(31)15-28-23)12-18-7-8-20-13-21(27)10-9-19(20)11-18/h2-11,13,22-24,28,31H,12,14-16H2,1H3,(H,29,32)/t22-,23+,24+/m1/s1
InChIKeyTYBUPVYSQVVIIC-SGNDLWITSA-N
XLogP2.90
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-chlorobutanamide
CID 139707571
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[(2-chlorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide
CID 10817360
tert-butyl (2S)-2-[[(2R)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 101230204
tert-butyl (2S)-2-[[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 101230213
(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138536
N-benzyl-3-hydroxy-N-methyl-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 4174039
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
CID 59336257
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119832268
4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119804053

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 10479641) is (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide is CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2cc(Cl)ccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is TYBUPVYSQVVIIC-SGNDLWITSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c1-30(16-17-5-3-2-4-6-17)26(33)24(29-25(32)23-14-22(31)15-28-23)12-18-7-8-20-13-21(27)10-9-19(20)11-18/h2-11,13,22-24,28,31H,12,14-16H2,1H3,(H,29,32)/t22-,23+,24+/m1/s1.
What are the key properties of (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 465.98 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-(6-chloronaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 10479641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).