1-aminopropan-2-yl(ethyl)carbamic acid

C6H14N2O2 — CID 134540126

IUPAC1-aminopropan-2-yl(ethyl)carbamic acid
SMILESCCN(C(=O)O)C(C)CN
InChIInChI=1S/C6H14N2O2/c1-3-8(6(9)10)5(2)4-7/h5H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyYPUJJSVRXSVWMR-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.33
Rot. Bonds3

About 1-aminopropan-2-yl(ethyl)carbamic acid

1-aminopropan-2-yl(ethyl)carbamic acid (PubChem CID 134540126) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-aminopropan-2-yl(ethyl)carbamic acid.

Molecular Properties

Compound Name1-aminopropan-2-yl(ethyl)carbamic acid
PubChem CID134540126
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-aminopropan-2-yl(ethyl)carbamic acid
SMILESCCN(C(=O)O)C(C)CN
InChIInChI=1S/C6H14N2O2/c1-3-8(6(9)10)5(2)4-7/h5H,3-4,7H2,1-2H3,(H,9,10)
InChIKeyYPUJJSVRXSVWMR-UHFFFAOYSA-N
XLogP0.33
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl(ethyl)carbamic acid?
The IUPAC name of 1-aminopropan-2-yl(ethyl)carbamic acid (CID 134540126) is 1-aminopropan-2-yl(ethyl)carbamic acid.
What is the SMILES notation for 1-aminopropan-2-yl(ethyl)carbamic acid?
The canonical SMILES for 1-aminopropan-2-yl(ethyl)carbamic acid is CCN(C(=O)O)C(C)CN.
What is the InChIKey of 1-aminopropan-2-yl(ethyl)carbamic acid?
The InChIKey is YPUJJSVRXSVWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-8(6(9)10)5(2)4-7/h5H,3-4,7H2,1-2H3,(H,9,10).
What are the key properties of 1-aminopropan-2-yl(ethyl)carbamic acid?
1-aminopropan-2-yl(ethyl)carbamic acid has a molecular weight of 146.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl(ethyl)carbamic acid is sourced from PubChem (CID 134540126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).