2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid

C19H26N2O4 — CID 67173075

IUPAC2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
SMILESCCCCC(N)C(=O)O.NC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C13H13NO2.C6H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;1-2-3-4-5(7)6(8)9/h1-7,12H,8,14H2,(H,15,16);5H,2-4,7H2,1H3,(H,8,9)
InChIKeyYVGOBKIOFZWWHI-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.38
Rot. Bonds7

About 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid

2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid (PubChem CID 67173075) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
PubChem CID67173075
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
SMILESCCCCC(N)C(=O)O.NC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C13H13NO2.C6H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;1-2-3-4-5(7)6(8)9/h1-7,12H,8,14H2,(H,15,16);5H,2-4,7H2,1H3,(H,8,9)
InChIKeyYVGOBKIOFZWWHI-UHFFFAOYSA-N
XLogP2.38
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

octyl 2-amino-3-naphthalen-2-ylpropanoate
CID 166069428
(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 66662980
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
2-(2-ethylhexanoylamino)-3-naphthalen-2-ylpropanoic acid
CID 139753313
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
CID 69316412
2-(2-phenylheptyl)naphthalene
CID 174423017
butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735
2-amino-3-phenylpropanoic acid;1-chlorobutane
CID 174528725
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
2-amino-3-(4-hydroxyphenyl)propanoic acid;benzene;pentanamide
CID 174626271
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823

Frequently Asked Questions

What is the IUPAC name of 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid (CID 67173075) is 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid is CCCCC(N)C(=O)O.NC(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid?
The InChIKey is YVGOBKIOFZWWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C6H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;1-2-3-4-5(7)6(8)9/h1-7,12H,8,14H2,(H,15,16);5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid?
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 67173075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).