(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid

C14H16N2O2 — CID 167305081

IUPAC(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid
SMILESCN[C@@H](CNc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-15-13(14(17)18)9-16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,15-16H,9H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyYZANUDAVNVQRMM-ZDUSSCGKSA-N
MW244.29 g/mol
LogP1.92
Rot. Bonds5

About (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid

(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid (PubChem CID 167305081) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid
PubChem CID167305081
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid
SMILESCN[C@@H](CNc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-15-13(14(17)18)9-16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,15-16H,9H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyYZANUDAVNVQRMM-ZDUSSCGKSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
CID 115255887
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol
CID 106287465
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
CID 18886290
2-methyl-3-(4-phenylanilino)propanoic acid
CID 62253496
2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;4-methyl-2-(methylamino)pentanoic acid;2-(naphthalen-2-ylamino)propanoic acid
CID 175134636
5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174579623
(2R)-2-(butylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592870
2-methyl-2-(naphthalen-2-ylamino)propanoic acid
CID 69497419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid (CID 167305081) is (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid is CN[C@@H](CNc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid?
The InChIKey is YZANUDAVNVQRMM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-13(14(17)18)9-16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,15-16H,9H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid?
(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid is sourced from PubChem (CID 167305081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).