(4-ethylpyrrolidin-3-yl)carbamic acid

C7H14N2O2 — CID 174763111

IUPAC(4-ethylpyrrolidin-3-yl)carbamic acid
SMILESCCC1CNCC1NC(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-5-3-8-4-6(5)9-7(10)11/h5-6,8-9H,2-4H2,1H3,(H,10,11)
InChIKeyZHSCISXWZDHJSD-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.25
Rot. Bonds2

About (4-ethylpyrrolidin-3-yl)carbamic acid

(4-ethylpyrrolidin-3-yl)carbamic acid (PubChem CID 174763111) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4-ethylpyrrolidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(4-ethylpyrrolidin-3-yl)carbamic acid
PubChem CID174763111
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(4-ethylpyrrolidin-3-yl)carbamic acid
SMILESCCC1CNCC1NC(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-5-3-8-4-6(5)9-7(10)11/h5-6,8-9H,2-4H2,1H3,(H,10,11)
InChIKeyZHSCISXWZDHJSD-UHFFFAOYSA-N
XLogP0.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpyrrolidin-3-yl)carbamic acid?
The IUPAC name of (4-ethylpyrrolidin-3-yl)carbamic acid (CID 174763111) is (4-ethylpyrrolidin-3-yl)carbamic acid.
What is the SMILES notation for (4-ethylpyrrolidin-3-yl)carbamic acid?
The canonical SMILES for (4-ethylpyrrolidin-3-yl)carbamic acid is CCC1CNCC1NC(=O)O.
What is the InChIKey of (4-ethylpyrrolidin-3-yl)carbamic acid?
The InChIKey is ZHSCISXWZDHJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-5-3-8-4-6(5)9-7(10)11/h5-6,8-9H,2-4H2,1H3,(H,10,11).
What are the key properties of (4-ethylpyrrolidin-3-yl)carbamic acid?
(4-ethylpyrrolidin-3-yl)carbamic acid has a molecular weight of 158.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 174763111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).