methyl N-(3-methoxy-2-methylpropyl)carbamate

C7H15NO3 — CID 115593989

IUPACmethyl N-(3-methoxy-2-methylpropyl)carbamate
SMILESCOCC(C)CNC(=O)OC
InChIInChI=1S/C7H15NO3/c1-6(5-10-2)4-8-7(9)11-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyHHQCKYKSGDHVDY-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.62
Rot. Bonds4

About methyl N-(3-methoxy-2-methylpropyl)carbamate

methyl N-(3-methoxy-2-methylpropyl)carbamate (PubChem CID 115593989) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl N-(3-methoxy-2-methylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-methoxy-2-methylpropyl)carbamate
PubChem CID115593989
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl N-(3-methoxy-2-methylpropyl)carbamate
SMILESCOCC(C)CNC(=O)OC
InChIInChI=1S/C7H15NO3/c1-6(5-10-2)4-8-7(9)11-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyHHQCKYKSGDHVDY-UHFFFAOYSA-N
XLogP0.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
3-[(3-methoxy-2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898277
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
1-(3-methoxy-2-methylpropyl)-3-methylthiourea
CID 115593939
methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 163815287
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 78979081
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65221880
2-amino-N-(3-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 114995893
1-(3-methoxy-2-methylpropyl)-3-propylthiourea
CID 115593935

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-methoxy-2-methylpropyl)carbamate?
The IUPAC name of methyl N-(3-methoxy-2-methylpropyl)carbamate (CID 115593989) is methyl N-(3-methoxy-2-methylpropyl)carbamate.
What is the SMILES notation for methyl N-(3-methoxy-2-methylpropyl)carbamate?
The canonical SMILES for methyl N-(3-methoxy-2-methylpropyl)carbamate is COCC(C)CNC(=O)OC.
What is the InChIKey of methyl N-(3-methoxy-2-methylpropyl)carbamate?
The InChIKey is HHQCKYKSGDHVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(5-10-2)4-8-7(9)11-3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of methyl N-(3-methoxy-2-methylpropyl)carbamate?
methyl N-(3-methoxy-2-methylpropyl)carbamate has a molecular weight of 161.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-methoxy-2-methylpropyl)carbamate is sourced from PubChem (CID 115593989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).