8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid

C15H15NO4 — CID 165347390

IUPAC8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid
SMILESN[C@H](CCC(=O)O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C15H15NO4/c16-12(7-8-13(17)18)10-5-1-3-9-4-2-6-11(14(9)10)15(19)20/h1-6,12H,7-8,16H2,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyJYPYMJDLFZCBPK-GFCCVEGCSA-N
MW273.29 g/mol
LogP2.40
Rot. Bonds5

About 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid

8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid (PubChem CID 165347390) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid
PubChem CID165347390
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid
SMILESN[C@H](CCC(=O)O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C15H15NO4/c16-12(7-8-13(17)18)10-5-1-3-9-4-2-6-11(14(9)10)15(19)20/h1-6,12H,7-8,16H2,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyJYPYMJDLFZCBPK-GFCCVEGCSA-N
XLogP2.40
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(1H-indol-7-yl)butanoic acid
CID 82614845
4-amino-4-(2-aminophenyl)butanoic acid
CID 55297082
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
2-[(1S)-1,3-diaminopropyl]benzoic acid
CID 171220788
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid
CID 117472463
4-amino-4-(3-hydroxy-2-methylsulfanylphenyl)butanoic acid
CID 117355517
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
2-(1-amino-3-chloropropyl)benzoic acid
CID 24835038
3-(1,2-diaminoethyl)phthalic acid
CID 175050908
5-(1-amino-3-carboxypropyl)-2,4-dimethylbenzoic acid
CID 117380953
(4R)-4-amino-4-(2-fluoro-3-pyridinyl)butanoic acid
CID 55265569

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid?
The IUPAC name of 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid (CID 165347390) is 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid is N[C@H](CCC(=O)O)c1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid?
The InChIKey is JYPYMJDLFZCBPK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15NO4/c16-12(7-8-13(17)18)10-5-1-3-9-4-2-6-11(14(9)10)15(19)20/h1-6,12H,7-8,16H2,(H,17,18)(H,19,20)/t12-/m1/s1.
What are the key properties of 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid?
8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 165347390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).