(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid

C22H21NO3 — CID 67360770

IUPAC(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
SMILESO=C(O)C[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc1ccccc1
InChIInChI=1S/C22H21NO3/c24-21(14-16-6-2-1-3-7-16)23-20(15-22(25)26)13-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,20H,13-15H2,(H,23,24)(H,25,26)/t20-/m0/s1
InChIKeyUTASGEZSTLUPOR-FQEVSTJZSA-N
MW347.41 g/mol
LogP3.58
Rot. Bonds7

About (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid

(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid (PubChem CID 67360770) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
PubChem CID67360770
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
SMILESO=C(O)C[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc1ccccc1
InChIInChI=1S/C22H21NO3/c24-21(14-16-6-2-1-3-7-16)23-20(15-22(25)26)13-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,20H,13-15H2,(H,23,24)(H,25,26)/t20-/m0/s1
InChIKeyUTASGEZSTLUPOR-FQEVSTJZSA-N
XLogP3.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578
(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid
CID 175552755
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
(3S)-4-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 53341147
(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid
CID 46884011
5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
(3S)-4-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 53341193
4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 67362285
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527

Frequently Asked Questions

What is the IUPAC name of (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid?
The IUPAC name of (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid (CID 67360770) is (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid.
What is the SMILES notation for (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid?
The canonical SMILES for (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid is O=C(O)C[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc1ccccc1.
What is the InChIKey of (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid?
The InChIKey is UTASGEZSTLUPOR-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21NO3/c24-21(14-16-6-2-1-3-7-16)23-20(15-22(25)26)13-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,20H,13-15H2,(H,23,24)(H,25,26)/t20-/m0/s1.
What are the key properties of (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid?
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid has a molecular weight of 347.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid is sourced from PubChem (CID 67360770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).