tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate

C19H35N3O3 — CID 96553779

IUPACtert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate
SMILESCC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C19H35N3O3/c1-12(2)16(20)17(23)21-14-8-6-7-9-15(14)22(13-10-11-13)18(24)25-19(3,4)5/h12-16H,6-11,20H2,1-5H3,(H,21,23)/t14-,15+,16-/m0/s1
InChIKeyMOUSCWHPCAAVEK-XHSDSOJGSA-N
MW353.51 g/mol
LogP2.80
Rot. Bonds5

About tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate

tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate (PubChem CID 96553779) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate
PubChem CID96553779
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Nametert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate
SMILESCC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C19H35N3O3/c1-12(2)16(20)17(23)21-14-8-6-7-9-15(14)22(13-10-11-13)18(24)25-19(3,4)5/h12-16H,6-11,20H2,1-5H3,(H,21,23)/t14-,15+,16-/m0/s1
InChIKeyMOUSCWHPCAAVEK-XHSDSOJGSA-N
XLogP2.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-ethylcarbamate
CID 96553762
tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-cyclopropylcarbamate
CID 66566246
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-amino-3-methylbutanamide
CID 96554628
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
(2S)-2-amino-N-[(1R,2S)-2-[benzyl(cyclopropyl)amino]cyclohexyl]-3-methylbutanamide
CID 96554320
(2S)-2-amino-N-[(1R,2R)-2-[benzyl(cyclopropyl)amino]cyclohexyl]-3-methylbutanamide
CID 96554322
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
(2S)-2-amino-N-[(1R,2S)-2-[benzyl(methyl)amino]cyclohexyl]-3-methylbutanamide
CID 96554298
tert-butyl N-[(1R,2S)-2-[[(2S)-2-aminopropanoyl]-propan-2-ylamino]cyclohexyl]carbamate
CID 96552191
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate (CID 96553779) is tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate is CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate?
The InChIKey is MOUSCWHPCAAVEK-XHSDSOJGSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-12(2)16(20)17(23)21-14-8-6-7-9-15(14)22(13-10-11-13)18(24)25-19(3,4)5/h12-16H,6-11,20H2,1-5H3,(H,21,23)/t14-,15+,16-/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate?
tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate has a molecular weight of 353.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 96553779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).