(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid

C17H21NO2 — CID 102164167

IUPAC(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
SMILESCC(C)C[C@H](NCc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H21NO2/c1-12(2)9-16(17(19)20)18-11-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10,12,16,18H,9,11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyYWVFCWLGQODYDJ-INIZCTEOSA-N
MW271.36 g/mol
LogP3.43
Rot. Bonds6

About (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid

(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid (PubChem CID 102164167) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
PubChem CID102164167
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
SMILESCC(C)C[C@H](NCc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H21NO2/c1-12(2)9-16(17(19)20)18-11-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10,12,16,18H,9,11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyYWVFCWLGQODYDJ-INIZCTEOSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
2-(isoquinolin-6-ylmethylamino)-4-methylpentanoic acid
CID 107038218
(2R)-2-[(3-iodophenyl)methylamino]-4-methylpentanoic acid
CID 122037416
(2R)-2-[(4-bromo-3-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 122037439
2-[(3-chloro-4-fluorophenyl)methylamino]-4-methylpentanoic acid
CID 81145122
4-methyl-2-[(3-nitro-4-propan-2-ylphenyl)methylamino]pentanoic acid
CID 120510087
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
2-[[carboxy(naphthalen-2-yl)methyl]amino]-4-methylpentanoic acid
CID 22144227
2-[[4-(carboxymethoxy)phenyl]methylamino]-4-methylpentanoic acid
CID 102535707
(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
CID 142659232
4-methyl-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528160
(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
CID 120510789

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid (CID 102164167) is (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid is CC(C)C[C@H](NCc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid?
The InChIKey is YWVFCWLGQODYDJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)9-16(17(19)20)18-11-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10,12,16,18H,9,11H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid?
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid is sourced from PubChem (CID 102164167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).