(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid

C17H20N2O3 — CID 142659232

IUPAC(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
SMILESCC(C)C[C@H](NNC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-11(2)9-15(17(21)22)18-19-16(20)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15,18H,9H2,1-2H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyFFACXIBTGJHRPM-HNNXBMFYSA-N
MW300.36 g/mol
LogP2.57
Rot. Bonds6

About (2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid

(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid (PubChem CID 142659232) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
PubChem CID142659232
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
SMILESCC(C)C[C@H](NNC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-11(2)9-15(17(21)22)18-19-16(20)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15,18H,9H2,1-2H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyFFACXIBTGJHRPM-HNNXBMFYSA-N
XLogP2.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.57
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

4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
2-[[carboxy(naphthalen-2-yl)methyl]amino]-4-methylpentanoic acid
CID 22144227
N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
CID 114300984
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 22951581
N'-[(2R)-4-methylpentan-2-yl]benzohydrazide
CID 134953051
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid (CID 142659232) is (2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid is CC(C)C[C@H](NNC(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid?
The InChIKey is FFACXIBTGJHRPM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)9-15(17(21)22)18-19-16(20)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15,18H,9H2,1-2H3,(H,19,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid?
(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.57, 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-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid is sourced from PubChem (CID 142659232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).