2-[(2-methylnaphthalen-1-yl)amino]propanoic acid

C14H15NO2 — CID 22906744

IUPAC2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
SMILESCc1ccc2ccccc2c1NC(C)C(=O)O
InChIInChI=1S/C14H15NO2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)
InChIKeyDDBYWYQCUWLBFN-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.03
Rot. Bonds3

About 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid

2-[(2-methylnaphthalen-1-yl)amino]propanoic acid (PubChem CID 22906744) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
PubChem CID22906744
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
SMILESCc1ccc2ccccc2c1NC(C)C(=O)O
InChIInChI=1S/C14H15NO2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)
InChIKeyDDBYWYQCUWLBFN-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
CID 12769770
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
CID 126500414
(2R)-2-(1-benzothiophen-3-ylamino)propanoic acid;(2R)-2-(naphthalen-1-ylamino)propanoic acid
CID 71272007
2-[(4-methyl-3-pyridinyl)amino]propanoic acid
CID 66173557
N-(2-methylnaphthalen-1-yl)but-2-enamide
CID 154201467
N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866
2-[(2-propan-2-ylquinazolin-4-yl)amino]propanoic acid
CID 21003858
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
2-anilinopropanoic acid;hydrochloride
CID 19096756

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid?
The IUPAC name of 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid (CID 22906744) is 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid is Cc1ccc2ccccc2c1NC(C)C(=O)O.
What is the InChIKey of 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid?
The InChIKey is DDBYWYQCUWLBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14(16)17/h3-8,10,15H,1-2H3,(H,16,17).
What are the key properties of 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid?
2-[(2-methylnaphthalen-1-yl)amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylnaphthalen-1-yl)amino]propanoic acid is sourced from PubChem (CID 22906744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).