[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid

C14H21N3O3 — CID 68685259

IUPAC[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid
SMILESCC[C@H](C)[C@H](NC(=O)O)C(=O)NNCc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-3-10(2)12(16-14(19)20)13(18)17-15-9-11-7-5-4-6-8-11/h4-8,10,12,15-16H,3,9H2,1-2H3,(H,17,18)(H,19,20)/t10-,12-/m0/s1
InChIKeyDBDDVRDXONYASI-JQWIXIFHSA-N
MW279.34 g/mol
LogP1.49
Rot. Bonds7

About [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid

[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 68685259) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid
PubChem CID68685259
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid
SMILESCC[C@H](C)[C@H](NC(=O)O)C(=O)NNCc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-3-10(2)12(16-14(19)20)13(18)17-15-9-11-7-5-4-6-8-11/h4-8,10,12,15-16H,3,9H2,1-2H3,(H,17,18)(H,19,20)/t10-,12-/m0/s1
InChIKeyDBDDVRDXONYASI-JQWIXIFHSA-N
XLogP1.49
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate
CID 90904917
methyl N-[(2S,3S)-1-[2-[(4-bromophenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 91077200
(2R)-N'-benzyl-2-phenoxypropanehydrazide
CID 93092168
benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 44549134
methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
CID 70075865
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
benzyl N-[(2S,3S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 7611849
(2S,3R)-2-(benzylcarbamoylamino)-3-methylpentanoate
CID 7177499
(2R,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
CID 122408174
[(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 171600883
benzyl N-[3-methyl-1-[12-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]dodecylamino]-1-oxopentan-2-yl]carbamate;benzyl N-[3-methyl-1-[7-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]heptylamino]-1-oxopentan-2-yl]carbamate
CID 122444345

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid?
The IUPAC name of [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid (CID 68685259) is [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid is CC[C@H](C)[C@H](NC(=O)O)C(=O)NNCc1ccccc1.
What is the InChIKey of [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid?
The InChIKey is DBDDVRDXONYASI-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10(2)12(16-14(19)20)13(18)17-15-9-11-7-5-4-6-8-11/h4-8,10,12,15-16H,3,9H2,1-2H3,(H,17,18)(H,19,20)/t10-,12-/m0/s1.
What are the key properties of [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid?
[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 279.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 68685259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).