2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid

C19H25NO3 — CID 54846808

IUPAC2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid
SMILESCCCCCCOc1ccc2ccccc2c1CC(N)C(=O)O
InChIInChI=1S/C19H25NO3/c1-2-3-4-7-12-23-18-11-10-14-8-5-6-9-15(14)16(18)13-17(20)19(21)22/h5-6,8-11,17H,2-4,7,12-13,20H2,1H3,(H,21,22)
InChIKeyDPCMHEARRURTQS-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.75
Rot. Bonds9

About 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid

2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid (PubChem CID 54846808) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid
PubChem CID54846808
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid
SMILESCCCCCCOc1ccc2ccccc2c1CC(N)C(=O)O
InChIInChI=1S/C19H25NO3/c1-2-3-4-7-12-23-18-11-10-14-8-5-6-9-15(14)16(18)13-17(20)19(21)22/h5-6,8-11,17H,2-4,7,12-13,20H2,1H3,(H,21,22)
InChIKeyDPCMHEARRURTQS-UHFFFAOYSA-N
XLogP3.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.75
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

1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
2-amino-3-(5-amino-2-octoxyphenyl)propanoic acid
CID 21127243
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
CID 20992669
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
2-(2-butoxynaphthalen-1-yl)acetate
CID 7037013
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
(2S)-2-amino-3-(4-undecoxyphenyl)propanoic acid
CID 102330984
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
1,4-didodecoxynaphthalene
CID 21304164

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid (CID 54846808) is 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid is CCCCCCOc1ccc2ccccc2c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid?
The InChIKey is DPCMHEARRURTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-3-4-7-12-23-18-11-10-14-8-5-6-9-15(14)16(18)13-17(20)19(21)22/h5-6,8-11,17H,2-4,7,12-13,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid?
2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid has a molecular weight of 315.41 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 54846808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).