(2-methyloxolan-2-yl)methylcarbamic acid

C7H13NO3 — CID 122613669

IUPAC(2-methyloxolan-2-yl)methylcarbamic acid
SMILESCC1(CNC(=O)O)CCCO1
InChIInChI=1S/C7H13NO3/c1-7(3-2-4-11-7)5-8-6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyYSGJLPPGMKFAIL-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.82
Rot. Bonds2

About (2-methyloxolan-2-yl)methylcarbamic acid

(2-methyloxolan-2-yl)methylcarbamic acid (PubChem CID 122613669) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)methylcarbamic acid
PubChem CID122613669
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2-methyloxolan-2-yl)methylcarbamic acid
SMILESCC1(CNC(=O)O)CCCO1
InChIInChI=1S/C7H13NO3/c1-7(3-2-4-11-7)5-8-6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyYSGJLPPGMKFAIL-UHFFFAOYSA-N
XLogP0.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)methylcarbamic acid?
The IUPAC name of (2-methyloxolan-2-yl)methylcarbamic acid (CID 122613669) is (2-methyloxolan-2-yl)methylcarbamic acid.
What is the SMILES notation for (2-methyloxolan-2-yl)methylcarbamic acid?
The canonical SMILES for (2-methyloxolan-2-yl)methylcarbamic acid is CC1(CNC(=O)O)CCCO1.
What is the InChIKey of (2-methyloxolan-2-yl)methylcarbamic acid?
The InChIKey is YSGJLPPGMKFAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(3-2-4-11-7)5-8-6(9)10/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of (2-methyloxolan-2-yl)methylcarbamic acid?
(2-methyloxolan-2-yl)methylcarbamic acid has a molecular weight of 159.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)methylcarbamic acid is sourced from PubChem (CID 122613669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).