(2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid

C20H22N2O6 — CID 67332121

IUPAC(2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid
SMILESCOc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc(OC)c1-c1ccccc1
InChIInChI=1S/C20H22N2O6/c1-27-15-10-13(19(24)22-14(20(25)26)8-9-17(21)23)11-16(28-2)18(15)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3,(H2,21,23)(H,22,24)(H,25,26)/t14-/m0/s1
InChIKeyBOYWXRAEASFGEM-AWEZNQCLSA-N
MW386.40 g/mol
LogP1.82
Rot. Bonds9

About (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid (PubChem CID 67332121) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid
PubChem CID67332121
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name(2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid
SMILESCOc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc(OC)c1-c1ccccc1
InChIInChI=1S/C20H22N2O6/c1-27-15-10-13(19(24)22-14(20(25)26)8-9-17(21)23)11-16(28-2)18(15)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3,(H2,21,23)(H,22,24)(H,25,26)/t14-/m0/s1
InChIKeyBOYWXRAEASFGEM-AWEZNQCLSA-N
XLogP1.82
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 29054204
(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 107829710
(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 107829854
(2S)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 61144055
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
CID 43176049
5-amino-2-[(3-bromo-5-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 107937702
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
5-amino-2-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
CID 24693335
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
CID 43630471
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid (CID 67332121) is (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid is COc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc(OC)c1-c1ccccc1.
What is the InChIKey of (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid?
The InChIKey is BOYWXRAEASFGEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-27-15-10-13(19(24)22-14(20(25)26)8-9-17(21)23)11-16(28-2)18(15)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3,(H2,21,23)(H,22,24)(H,25,26)/t14-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid has a molecular weight of 386.40 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(3,5-dimethoxy-4-phenylbenzoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 67332121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).