(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid

C17H19NO4 — CID 119238607

IUPAC(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
SMILESC[C@H](NC(=O)CCCOc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C17H19NO4/c1-12(17(20)21)18-16(19)10-5-11-22-15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyZCLYBESVZSEYFA-LBPRGKRZSA-N
MW301.34 g/mol
LogP2.59
Rot. Bonds7

About (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid

(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid (PubChem CID 119238607) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
PubChem CID119238607
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
SMILESC[C@H](NC(=O)CCCOc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C17H19NO4/c1-12(17(20)21)18-16(19)10-5-11-22-15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyZCLYBESVZSEYFA-LBPRGKRZSA-N
XLogP2.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide
CID 55710931
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide
CID 60544727
2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
2-[4-(3-acetylphenoxy)butanoylamino]propanoic acid
CID 119225405
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
(2S)-3-methyl-2-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 61137299
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275
N',N'-dimethyl-3-naphthalen-1-yloxypropanehydrazide
CID 116820813

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid?
The IUPAC name of (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid (CID 119238607) is (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid is C[C@H](NC(=O)CCCOc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid?
The InChIKey is ZCLYBESVZSEYFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12(17(20)21)18-16(19)10-5-11-22-15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid?
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid has a molecular weight of 301.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid is sourced from PubChem (CID 119238607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).