4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid

C20H19NO6 — CID 70519317

IUPAC4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid
SMILESO=C(O)CCC(=O)[C@@H](Cc1ccc(C(=O)O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H19NO6/c22-17(10-11-18(23)24)16(21-19(25)14-4-2-1-3-5-14)12-13-6-8-15(9-7-13)20(26)27/h1-9,16H,10-12H2,(H,21,25)(H,23,24)(H,26,27)/t16-/m1/s1
InChIKeyIUVWFFIXHBQIMJ-MRXNPFEDSA-N
MW369.37 g/mol
LogP2.16
Rot. Bonds9

About 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid

4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid (PubChem CID 70519317) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid.

Molecular Properties

Compound Name4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid
PubChem CID70519317
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid
SMILESO=C(O)CCC(=O)[C@@H](Cc1ccc(C(=O)O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H19NO6/c22-17(10-11-18(23)24)16(21-19(25)14-4-2-1-3-5-14)12-13-6-8-15(9-7-13)20(26)27/h1-9,16H,10-12H2,(H,21,25)(H,23,24)(H,26,27)/t16-/m1/s1
InChIKeyIUVWFFIXHBQIMJ-MRXNPFEDSA-N
XLogP2.16
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid
CID 70554504
(2S)-2-benzamido-3-[4-(2-carboxyethyl)phenyl]propanoic acid
CID 70138871
methyl 5-benzamido-4-oxo-6-phenylhexanoate
CID 12854251
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
3-[1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]oxycyclohexyl]propanoic acid
CID 70079005
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
(5S)-5-benzamido-4-oxohexanoic acid
CID 129362331
(2S)-2-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]oxy-3-(dimethylamino)propanoic acid
CID 54354647
2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 53456337
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
(2S)-2-[[4-[(dibenzylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 72545523

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid?
The IUPAC name of 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid (CID 70519317) is 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid.
What is the SMILES notation for 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid?
The canonical SMILES for 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid is O=C(O)CCC(=O)[C@@H](Cc1ccc(C(=O)O)cc1)NC(=O)c1ccccc1.
What is the InChIKey of 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid?
The InChIKey is IUVWFFIXHBQIMJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19NO6/c22-17(10-11-18(23)24)16(21-19(25)14-4-2-1-3-5-14)12-13-6-8-15(9-7-13)20(26)27/h1-9,16H,10-12H2,(H,21,25)(H,23,24)(H,26,27)/t16-/m1/s1.
What are the key properties of 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid?
4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid has a molecular weight of 369.37 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid is sourced from PubChem (CID 70519317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).