(4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid

C14H19NO4 — CID 174315167

IUPAC(4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid
SMILESCOc1ccccc1C[C@H](CCC(=O)O)NC(C)=O
InChIInChI=1S/C14H19NO4/c1-10(16)15-12(7-8-14(17)18)9-11-5-3-4-6-13(11)19-2/h3-6,12H,7-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeyFBJSVFXAJFVQCT-LBPRGKRZSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds7

About (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid

(4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid (PubChem CID 174315167) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid
PubChem CID174315167
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid
SMILESCOc1ccccc1C[C@H](CCC(=O)O)NC(C)=O
InChIInChI=1S/C14H19NO4/c1-10(16)15-12(7-8-14(17)18)9-11-5-3-4-6-13(11)19-2/h3-6,12H,7-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeyFBJSVFXAJFVQCT-LBPRGKRZSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
3-[(2-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 69226800
4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045765
2-acetamido-3-[(2-methoxyphenyl)methylsulfonyl]propanoic acid
CID 107768303
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
3-chloro-4-(2-methoxyphenyl)butan-2-one
CID 82185002
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825

Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid?
The IUPAC name of (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid (CID 174315167) is (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid.
What is the SMILES notation for (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid?
The canonical SMILES for (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid is COc1ccccc1C[C@H](CCC(=O)O)NC(C)=O.
What is the InChIKey of (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid?
The InChIKey is FBJSVFXAJFVQCT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(16)15-12(7-8-14(17)18)9-11-5-3-4-6-13(11)19-2/h3-6,12H,7-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1.
What are the key properties of (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid?
(4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 174315167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).