(2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate

C14H18NO4- — CID 7167590

IUPAC(2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate
SMILESCC(C)C[C@@](CO)(NC(=O)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C14H19NO4/c1-10(2)8-14(9-16,13(18)19)15-12(17)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,17)(H,18,19)/p-1/t14-/m0/s1
InChIKeyFKUCELLBHQAFFX-AWEZNQCLSA-M
MW264.30 g/mol
LogP-0.06
Rot. Bonds6

About (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate

(2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate (PubChem CID 7167590) has the molecular formula C14H18NO4- and a molecular weight of 264.30 g/mol. Its IUPAC name is (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate.

Molecular Properties

Compound Name(2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate
PubChem CID7167590
Molecular FormulaC14H18NO4-
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name(2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate
SMILESCC(C)C[C@@](CO)(NC(=O)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C14H19NO4/c1-10(2)8-14(9-16,13(18)19)15-12(17)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,17)(H,18,19)/p-1/t14-/m0/s1
InChIKeyFKUCELLBHQAFFX-AWEZNQCLSA-M
XLogP-0.06
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-benzamido-2-(hydroxymethyl)-3-methylbutanoate
CID 7010089
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide
CID 40534992
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
3-methylbutanoate benzoate
CID 22761912
(2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid
CID 57143055
N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide
CID 110000733
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
(1-benzamido-1-carboxyethyl)-triphenylphosphanium
CID 24827846
[[(1S)-1-[4-(benzamidocarbamoyl)phenyl]-2-methylpropyl]amino]-(2,4-dimethylpentan-2-yl)-oxidosulfanium
CID 175789639
N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
CID 23582927

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate?
The IUPAC name of (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate (CID 7167590) is (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate.
What is the SMILES notation for (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate?
The canonical SMILES for (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate is CC(C)C[C@@](CO)(NC(=O)c1ccccc1)C(=O)[O-].
What is the InChIKey of (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate?
The InChIKey is FKUCELLBHQAFFX-AWEZNQCLSA-M. The full InChI is InChI=1S/C14H19NO4/c1-10(2)8-14(9-16,13(18)19)15-12(17)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,17)(H,18,19)/p-1/t14-/m0/s1.
What are the key properties of (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate?
(2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate has a molecular weight of 264.30 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-2-(hydroxymethyl)-4-methylpentanoate is sourced from PubChem (CID 7167590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).