3-hydroxyheptyl(methyl)carbamic acid

C9H19NO3 — CID 87975843

IUPAC3-hydroxyheptyl(methyl)carbamic acid
SMILESCCCCC(O)CCN(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-3-4-5-8(11)6-7-10(2)9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyMPIGVZMFSKCAIC-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.54
Rot. Bonds6

About 3-hydroxyheptyl(methyl)carbamic acid

3-hydroxyheptyl(methyl)carbamic acid (PubChem CID 87975843) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-hydroxyheptyl(methyl)carbamic acid.

Molecular Properties

Compound Name3-hydroxyheptyl(methyl)carbamic acid
PubChem CID87975843
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-hydroxyheptyl(methyl)carbamic acid
SMILESCCCCC(O)CCN(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-3-4-5-8(11)6-7-10(2)9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyMPIGVZMFSKCAIC-UHFFFAOYSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyheptyl(methyl)carbamic acid?
The IUPAC name of 3-hydroxyheptyl(methyl)carbamic acid (CID 87975843) is 3-hydroxyheptyl(methyl)carbamic acid.
What is the SMILES notation for 3-hydroxyheptyl(methyl)carbamic acid?
The canonical SMILES for 3-hydroxyheptyl(methyl)carbamic acid is CCCCC(O)CCN(C)C(=O)O.
What is the InChIKey of 3-hydroxyheptyl(methyl)carbamic acid?
The InChIKey is MPIGVZMFSKCAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-4-5-8(11)6-7-10(2)9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-hydroxyheptyl(methyl)carbamic acid?
3-hydroxyheptyl(methyl)carbamic acid has a molecular weight of 189.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyheptyl(methyl)carbamic acid is sourced from PubChem (CID 87975843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).