(2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid

C20H23NO3 — CID 90161880

IUPAC(2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid
SMILESCCCCc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)O)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-3-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(22)21-14(2)20(23)24/h6-14H,3-5H2,1-2H3,(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeyOKOWVZQNBDEYEJ-CQSZACIVSA-N
MW325.41 g/mol
LogP3.90
Rot. Bonds7

About (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid

(2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid (PubChem CID 90161880) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid
PubChem CID90161880
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid
SMILESCCCCc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)O)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-3-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(22)21-14(2)20(23)24/h6-14H,3-5H2,1-2H3,(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeyOKOWVZQNBDEYEJ-CQSZACIVSA-N
XLogP3.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-butylphenyl)-N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]benzamide
CID 58343538
(2R)-2-[[4-[4-[(4-butylphenyl)carbamoylamino]phenyl]benzoyl]amino]-3-methylbutanoic acid
CID 59151012
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
hexyl (2S)-2-[(4-butylbenzoyl)amino]propanoate
CID 20837226
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
4-heptyl-N-(1-phenylethyl)benzamide
CID 4027314
(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]propanoic acid
CID 119369868
2-[[4-(cyanomethyl)benzoyl]amino]propanoic acid
CID 82178772
N-(1-amino-1-iminopropan-2-yl)-4-octylbenzamide;hydrochloride
CID 75170820
4-(4-dodecylphenyl)benzoic acid
CID 3092136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid (CID 90161880) is (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid is CCCCc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)O)cc2)cc1.
What is the InChIKey of (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid?
The InChIKey is OKOWVZQNBDEYEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(22)21-14(2)20(23)24/h6-14H,3-5H2,1-2H3,(H,21,22)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid?
(2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(4-butylphenyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 90161880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).