methyl(oxolan-2-ylmethyl)carbamic acid

C7H13NO3 — CID 90935828

IUPACmethyl(oxolan-2-ylmethyl)carbamic acid
SMILESCN(CC1CCCO1)C(=O)O
InChIInChI=1S/C7H13NO3/c1-8(7(9)10)5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyPCOOHVBCUTZHAY-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.78
Rot. Bonds2

About methyl(oxolan-2-ylmethyl)carbamic acid

methyl(oxolan-2-ylmethyl)carbamic acid (PubChem CID 90935828) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl(oxolan-2-ylmethyl)carbamic acid.

Molecular Properties

Compound Namemethyl(oxolan-2-ylmethyl)carbamic acid
PubChem CID90935828
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl(oxolan-2-ylmethyl)carbamic acid
SMILESCN(CC1CCCO1)C(=O)O
InChIInChI=1S/C7H13NO3/c1-8(7(9)10)5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyPCOOHVBCUTZHAY-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
methyl(oxiran-2-ylmethyl)carbamic acid
CID 87093362
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55236563

Frequently Asked Questions

What is the IUPAC name of methyl(oxolan-2-ylmethyl)carbamic acid?
The IUPAC name of methyl(oxolan-2-ylmethyl)carbamic acid (CID 90935828) is methyl(oxolan-2-ylmethyl)carbamic acid.
What is the SMILES notation for methyl(oxolan-2-ylmethyl)carbamic acid?
The canonical SMILES for methyl(oxolan-2-ylmethyl)carbamic acid is CN(CC1CCCO1)C(=O)O.
What is the InChIKey of methyl(oxolan-2-ylmethyl)carbamic acid?
The InChIKey is PCOOHVBCUTZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8(7(9)10)5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of methyl(oxolan-2-ylmethyl)carbamic acid?
methyl(oxolan-2-ylmethyl)carbamic acid has a molecular weight of 159.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(oxolan-2-ylmethyl)carbamic acid is sourced from PubChem (CID 90935828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).