(2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

C21H28N4O6 — CID 11293396

IUPAC(2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
SMILESNCCC[C@H](NC(=O)CN1C(=O)OCC1c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C21H28N4O6/c22-10-4-8-15(19(27)24-11-5-9-16(24)20(28)29)23-18(26)12-25-17(13-31-21(25)30)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,22H2,(H,23,26)(H,28,29)/t15-,16-,17?/m0/s1
InChIKeyJEDZCVQXFRREDW-PYNWJHIZSA-N
MW432.48 g/mol
LogP0.48
Rot. Bonds9

About (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 11293396) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
PubChem CID11293396
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC Name(2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
SMILESNCCC[C@H](NC(=O)CN1C(=O)OCC1c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C21H28N4O6/c22-10-4-8-15(19(27)24-11-5-9-16(24)20(28)29)23-18(26)12-25-17(13-31-21(25)30)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,22H2,(H,23,26)(H,28,29)/t15-,16-,17?/m0/s1
InChIKeyJEDZCVQXFRREDW-PYNWJHIZSA-N
XLogP0.48
TPSA142.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-1-[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 53308269
1-[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 18221079
(2S)-1-[(2S)-5-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 14309035
5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 104683709
1-[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 18235595
(2R)-1-[6-amino-2-[(4-chlorophenyl)methylamino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 174671257
(2S)-1-[(2S)-6-amino-2-[(1-carboxy-3-phenylpropyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 6321211
(2S)-1-[(2S)-6-amino-2-[deuterio(3-phenylpropyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 141226060
CID 91986718
CID 91986718
(2R)-1-[(2R)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid;dihydrate
CID 133126820
1-[2-(2,6-diaminohexanoylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 18222566
(2S)-1-[(2S)-1-[2-[[(3S)-3-amino-4-phenylbutanoyl]amino]-4-phenylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 129199403

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid (CID 11293396) is (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid is NCCC[C@H](NC(=O)CN1C(=O)OCC1c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JEDZCVQXFRREDW-PYNWJHIZSA-N. The full InChI is InChI=1S/C21H28N4O6/c22-10-4-8-15(19(27)24-11-5-9-16(24)20(28)29)23-18(26)12-25-17(13-31-21(25)30)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,22H2,(H,23,26)(H,28,29)/t15-,16-,17?/m0/s1.
What are the key properties of (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 0.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11293396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).