(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid

C14H15NO2 — CID 66760761

IUPAC(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
SMILESCN[C@](C)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c1-14(15-2,13(16)17)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,15H,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeyBSSCGFTXWLSRPE-AWEZNQCLSA-N
MW229.28 g/mol
LogP2.36
Rot. Bonds3

About (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid

(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid (PubChem CID 66760761) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
PubChem CID66760761
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
SMILESCN[C@](C)(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c1-14(15-2,13(16)17)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,15H,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeyBSSCGFTXWLSRPE-AWEZNQCLSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal
CID 88510080
1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine
CID 80604679
methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid
CID 43803468
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1-(methylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774360
2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
CID 63701697
2-methyl-2-naphthalen-1-ylbutanoyl chloride
CID 117047849
N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
CID 115166889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid?
The IUPAC name of (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid (CID 66760761) is (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid is CN[C@](C)(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid?
The InChIKey is BSSCGFTXWLSRPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(15-2,13(16)17)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,15H,1-2H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid?
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 66760761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).