methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate

C15H23N3O3 — CID 90904917

IUPACmethyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)OC)C(=O)NNCc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-4-11(2)13(17-15(20)21-3)14(19)18-16-10-12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1
InChIKeyZQPYLIALWNXJQI-AAEUAGOBSA-N
MW293.37 g/mol
LogP1.58
Rot. Bonds7

About methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate

methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 90904917) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID90904917
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)OC)C(=O)NNCc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-4-11(2)13(17-15(20)21-3)14(19)18-16-10-12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1
InChIKeyZQPYLIALWNXJQI-AAEUAGOBSA-N
XLogP1.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 68685259
methyl N-[(2S,3S)-1-[2-[(4-bromophenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 91077200
methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
CID 70075865
(2R)-N'-benzyl-2-phenoxypropanehydrazide
CID 93092168
benzyl N-[(2S,3S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 7611849
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
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 (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
methyl (2S)-2-[[(2R,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 92840647
methyl (2S)-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylmethoxypropanoate
CID 131739575
benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 51159515

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate (CID 90904917) is methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate is CC[C@H](C)[C@H](NC(=O)OC)C(=O)NNCc1ccccc1.
What is the InChIKey of methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is ZQPYLIALWNXJQI-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11(2)13(17-15(20)21-3)14(19)18-16-10-12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1.
What are the key properties of methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate?
methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 90904917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).