(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid

C19H18Cl2N2O4 — CID 166903417

IUPAC(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
SMILESO=C(Cc1ccc(Cl)cc1)NC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C19H18Cl2N2O4/c20-14-5-1-12(2-6-14)9-17(24)22-11-16(19(26)27)23-18(25)10-13-3-7-15(21)8-4-13/h1-8,16H,9-11H2,(H,22,24)(H,23,25)(H,26,27)/t16-/m0/s1
InChIKeyOSYNHPMZPLMMAN-INIZCTEOSA-N
MW409.27 g/mol
LogP2.46
Rot. Bonds8

About (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid

(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid (PubChem CID 166903417) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
PubChem CID166903417
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
SMILESO=C(Cc1ccc(Cl)cc1)NC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C19H18Cl2N2O4/c20-14-5-1-12(2-6-14)9-17(24)22-11-16(19(26)27)23-18(25)10-13-3-7-15(21)8-4-13/h1-8,16H,9-11H2,(H,22,24)(H,23,25)(H,26,27)/t16-/m0/s1
InChIKeyOSYNHPMZPLMMAN-INIZCTEOSA-N
XLogP2.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 81077193
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220451
(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820376
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid
CID 65218537
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382
2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
CID 71459140
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide
CID 110281459

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid (CID 166903417) is (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid is O=C(Cc1ccc(Cl)cc1)NC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid?
The InChIKey is OSYNHPMZPLMMAN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c20-14-5-1-12(2-6-14)9-17(24)22-11-16(19(26)27)23-18(25)10-13-3-7-15(21)8-4-13/h1-8,16H,9-11H2,(H,22,24)(H,23,25)(H,26,27)/t16-/m0/s1.
What are the key properties of (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid?
(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid has a molecular weight of 409.27 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 166903417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).