(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid

C16H20N2O2 — CID 174526568

IUPAC(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid
SMILESCC(C)C[C@H](NNc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-11(2)10-15(16(19)20)18-17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,17-18H,10H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyMAXYUWFTCDWJBJ-HNNXBMFYSA-N
MW272.35 g/mol
LogP3.26
Rot. Bonds6

About (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid

(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid (PubChem CID 174526568) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid
PubChem CID174526568
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid
SMILESCC(C)C[C@H](NNc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-11(2)10-15(16(19)20)18-17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,17-18H,10H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyMAXYUWFTCDWJBJ-HNNXBMFYSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
CID 142659232
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate
CID 7324020
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid
CID 141020858
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
2-(naphthalen-1-ylamino)-5-oxopentanoic acid
CID 144900883
(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 40571772

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid (CID 174526568) is (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid is CC(C)C[C@H](NNc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid?
The InChIKey is MAXYUWFTCDWJBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)10-15(16(19)20)18-17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,17-18H,10H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid?
(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid has a molecular weight of 272.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid is sourced from PubChem (CID 174526568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).