methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate

C23H42N2O5 — CID 67873967

IUPACmethyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC1CCCCC1)CC(=O)OC
InChIInChI=1S/C23H42N2O5/c1-6-7-15-19(24-22(28)30-23(2,3)4)21(27)25(17-20(26)29-5)16-11-14-18-12-9-8-10-13-18/h18-19H,6-17H2,1-5H3,(H,24,28)/t19-/m0/s1
InChIKeyRZUCZRCTAVDHDH-IBGZPJMESA-N
MW426.60 g/mol
LogP4.43
Rot. Bonds11

About methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate

methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate (PubChem CID 67873967) has the molecular formula C23H42N2O5 and a molecular weight of 426.60 g/mol. Its IUPAC name is methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
PubChem CID67873967
Molecular FormulaC23H42N2O5
Molecular Weight426.60 g/mol
Exact Mass426.31
IUPAC Namemethyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC1CCCCC1)CC(=O)OC
InChIInChI=1S/C23H42N2O5/c1-6-7-15-19(24-22(28)30-23(2,3)4)21(27)25(17-20(26)29-5)16-11-14-18-12-9-8-10-13-18/h18-19H,6-17H2,1-5H3,(H,24,28)/t19-/m0/s1
InChIKeyRZUCZRCTAVDHDH-IBGZPJMESA-N
XLogP4.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate with MolForge

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Related Compounds

(2S)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 171702983
tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 166553850
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
2-[3-cyclohexylpropyl-[(2S)-2-(1H-indole-2-carbonylamino)hexanoyl]amino]acetic acid
CID 57263044
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate
CID 147540302
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
ethyl (2S,5S)-6-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate
CID 57122320
(1R,3S,4S)-2-[(2S)-5-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 170010322
tert-butyl N-[3-cyclobutyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 58987170
tert-butyl N-[3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 68714876
tert-butyl N-[(2R)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamate
CID 140616777
tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate
CID 68758091

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate?
The IUPAC name of methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate (CID 67873967) is methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate?
The canonical SMILES for methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate is CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC1CCCCC1)CC(=O)OC.
What is the InChIKey of methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate?
The InChIKey is RZUCZRCTAVDHDH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H42N2O5/c1-6-7-15-19(24-22(28)30-23(2,3)4)21(27)25(17-20(26)29-5)16-11-14-18-12-9-8-10-13-18/h18-19H,6-17H2,1-5H3,(H,24,28)/t19-/m0/s1.
What are the key properties of methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate?
methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate has a molecular weight of 426.60 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-cyclohexylpropyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate is sourced from PubChem (CID 67873967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).