(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid

C14H18ClNO4 — CID 107563797

IUPAC(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)Cc1cc(Cl)ccc1OC)C(=O)O
InChIInChI=1S/C14H18ClNO4/c1-3-4-11(14(18)19)16-13(17)8-9-7-10(15)5-6-12(9)20-2/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyMDFXURHXHFNALL-NSHDSACASA-N
MW299.75 g/mol
LogP2.26
Rot. Bonds7

About (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid

(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 107563797) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
PubChem CID107563797
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)Cc1cc(Cl)ccc1OC)C(=O)O
InChIInChI=1S/C14H18ClNO4/c1-3-4-11(14(18)19)16-13(17)8-9-7-10(15)5-6-12(9)20-2/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyMDFXURHXHFNALL-NSHDSACASA-N
XLogP2.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]hexanoic acid
CID 107144268
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid
CID 43388208
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107564593
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61143813
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid
CID 65315785

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid (CID 107563797) is (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid is CCC[C@H](NC(=O)Cc1cc(Cl)ccc1OC)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is MDFXURHXHFNALL-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-3-4-11(14(18)19)16-13(17)8-9-7-10(15)5-6-12(9)20-2/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid?
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 299.75 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107563797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).