[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate

C14H27N3O3 — CID 175450748

IUPAC[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)NN
InChIInChI=1S/C14H27N3O3/c1-14(2,3)16-13(19)20-11(12(18)17-15)9-10-7-5-4-6-8-10/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyQQTKTSQAJWVQTC-NSHDSACASA-N
MW285.39 g/mol
LogP1.84
Rot. Bonds4

About [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate

[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate (PubChem CID 175450748) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate
PubChem CID175450748
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)NN
InChIInChI=1S/C14H27N3O3/c1-14(2,3)16-13(19)20-11(12(18)17-15)9-10-7-5-4-6-8-10/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyQQTKTSQAJWVQTC-NSHDSACASA-N
XLogP1.84
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate with MolForge

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Related Compounds

[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 57451908
N-tert-butyl-3-cyclopentyl-2-(cyclopentylmethoxy)propanamide
CID 20790258
[(1S)-2-amino-1-cycloheptyl-2-oxoethyl] N-tert-butylcarbamate
CID 175449330
(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide
CID 10017644
N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
CID 20790215
1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 59033305
(1-cyano-2-cyclopropylethyl) N-tert-butylcarbamate
CID 142794437
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
methyl 2-(cyclohexylmethyl)-3-hydroxy-3-methylbutanoate
CID 164683725
4-[(3-cyclohexyl-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119204002
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate (CID 175450748) is [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)NN.
What is the InChIKey of [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate?
The InChIKey is QQTKTSQAJWVQTC-NSHDSACASA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)16-13(19)20-11(12(18)17-15)9-10-7-5-4-6-8-10/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate?
[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate has a molecular weight of 285.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175450748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).