(2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide

C23H27N7O2 — CID 91591505

IUPAC(2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CCCN1C(=O)N(Cc1ccccc1-n1cnnn1)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C23H27N7O2/c1-17-8-7-13-28(17)23(32)29(22(31)20(24)14-18-9-3-2-4-10-18)15-19-11-5-6-12-21(19)30-16-25-26-27-30/h2-6,9-12,16-17,20H,7-8,13-15,24H2,1H3/t17-,20-/m1/s1
InChIKeyNWAKTJLYRPEWNY-YLJYHZDGSA-N
MW433.52 g/mol
LogP2.17
Rot. Bonds6

About (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide

(2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 91591505) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID91591505
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name(2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CCCN1C(=O)N(Cc1ccccc1-n1cnnn1)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C23H27N7O2/c1-17-8-7-13-28(17)23(32)29(22(31)20(24)14-18-9-3-2-4-10-18)15-19-11-5-6-12-21(19)30-16-25-26-27-30/h2-6,9-12,16-17,20H,7-8,13-15,24H2,1H3/t17-,20-/m1/s1
InChIKeyNWAKTJLYRPEWNY-YLJYHZDGSA-N
XLogP2.17
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-(2-amino-3-phenylpropanoyl)-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 70115634
(2R)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-methyl-N-[(2S)-3-methylpyrrolidine-2-carbonyl]pyrrolidine-1-carboxamide
CID 91507079
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119836433
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-methylpyrrolidine-1-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 90124086
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
2-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 18223326

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 91591505) is (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide is C[C@@H]1CCCN1C(=O)N(Cc1ccccc1-n1cnnn1)C(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is NWAKTJLYRPEWNY-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-17-8-7-13-28(17)23(32)29(22(31)20(24)14-18-9-3-2-4-10-18)15-19-11-5-6-12-21(19)30-16-25-26-27-30/h2-6,9-12,16-17,20H,7-8,13-15,24H2,1H3/t17-,20-/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
(2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-amino-3-phenylpropanoyl]-2-methyl-N-[[2-(tetrazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91591505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).