methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate

C15H30N2O4 — CID 103388232

IUPACmethyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-10(2)8-12(13(18)20-7)17-11(3)9-16-14(19)21-15(4,5)6/h10-12,17H,8-9H2,1-7H3,(H,16,19)
InChIKeyHHMTXHZRMIRMCB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.08
Rot. Bonds7

About methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate

methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate (PubChem CID 103388232) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
PubChem CID103388232
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Namemethyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-10(2)8-12(13(18)20-7)17-11(3)9-16-14(19)21-15(4,5)6/h10-12,17H,8-9H2,1-7H3,(H,16,19)
InChIKeyHHMTXHZRMIRMCB-UHFFFAOYSA-N
XLogP2.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate with MolForge

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Related Compounds

tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
CID 103390810
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588
methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
CID 53315637
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936
tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782950
methyl 4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 88936057
tert-butyl N-[2-(1,1-dimethoxypropan-2-ylamino)-4-methylpentyl]carbamate
CID 107252224

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate (CID 103388232) is methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate is COC(=O)C(CC(C)C)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate?
The InChIKey is HHMTXHZRMIRMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-10(2)8-12(13(18)20-7)17-11(3)9-16-14(19)21-15(4,5)6/h10-12,17H,8-9H2,1-7H3,(H,16,19).
What are the key properties of methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate?
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate has a molecular weight of 302.42 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate is sourced from PubChem (CID 103388232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).