(2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

C19H27N3O4 — CID 95303706

IUPAC(2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27N3O4/c1-12(16(24)21-19(2,3)4)20-17(25)14-9-7-11-22(14)18(26)13-8-5-6-10-15(13)23/h5-6,8,10,12,14,23H,7,9,11H2,1-4H3,(H,20,25)(H,21,24)/t12-,14-/m0/s1
InChIKeySDPQXJCPZLETBT-JSGCOSHPSA-N
MW361.44 g/mol
LogP1.42
Rot. Bonds4

About (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 95303706) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID95303706
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27N3O4/c1-12(16(24)21-19(2,3)4)20-17(25)14-9-7-11-22(14)18(26)13-8-5-6-10-15(13)23/h5-6,8,10,12,14,23H,7,9,11H2,1-4H3,(H,20,25)(H,21,24)/t12-,14-/m0/s1
InChIKeySDPQXJCPZLETBT-JSGCOSHPSA-N
XLogP1.42
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-benzoyl-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 173398428
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 86997540
N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
CID 104547616
(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 51953533
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94162909
1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 126785198
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
CID 94011491

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (CID 95303706) is (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is SDPQXJCPZLETBT-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12(16(24)21-19(2,3)4)20-17(25)14-9-7-11-22(14)18(26)13-8-5-6-10-15(13)23/h5-6,8,10,12,14,23H,7,9,11H2,1-4H3,(H,20,25)(H,21,24)/t12-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95303706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).