(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid

C16H17NO3 — CID 166000608

IUPAC(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid
SMILESCC(=O)N[C@@H](CC(=O)O)Cc1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c1-11(18)17-14(10-16(19)20)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14H,9-10H2,1H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyLZCPODJOAKBAPP-CQSZACIVSA-N
MW271.32 g/mol
LogP2.36
Rot. Bonds5

About (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid

(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid (PubChem CID 166000608) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid.

Molecular Properties

Compound Name(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid
PubChem CID166000608
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid
SMILESCC(=O)N[C@@H](CC(=O)O)Cc1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c1-11(18)17-14(10-16(19)20)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14H,9-10H2,1H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyLZCPODJOAKBAPP-CQSZACIVSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(iodoamino)-4-naphthalen-1-ylbutanoic acid
CID 166792226
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
(3S)-4-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 53341147
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
2-acetamido-3-isoquinolin-4-ylpropanoic acid
CID 104504316
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide
CID 71614579
3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 81063161
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid?
The IUPAC name of (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid (CID 166000608) is (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid.
What is the SMILES notation for (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid?
The canonical SMILES for (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid is CC(=O)N[C@@H](CC(=O)O)Cc1cccc2ccccc12.
What is the InChIKey of (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid?
The InChIKey is LZCPODJOAKBAPP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(18)17-14(10-16(19)20)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14H,9-10H2,1H3,(H,17,18)(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid?
(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid is sourced from PubChem (CID 166000608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).