(2-propylpyrrolidin-1-yl)carbamic acid

C8H16N2O2 — CID 68817633

IUPAC(2-propylpyrrolidin-1-yl)carbamic acid
SMILESCCCC1CCCN1NC(=O)O
InChIInChI=1S/C8H16N2O2/c1-2-4-7-5-3-6-10(7)9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyXZQJJFOGWAVGCJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.43
Rot. Bonds3

About (2-propylpyrrolidin-1-yl)carbamic acid

(2-propylpyrrolidin-1-yl)carbamic acid (PubChem CID 68817633) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2-propylpyrrolidin-1-yl)carbamic acid.

Molecular Properties

Compound Name(2-propylpyrrolidin-1-yl)carbamic acid
PubChem CID68817633
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2-propylpyrrolidin-1-yl)carbamic acid
SMILESCCCC1CCCN1NC(=O)O
InChIInChI=1S/C8H16N2O2/c1-2-4-7-5-3-6-10(7)9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyXZQJJFOGWAVGCJ-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-2-propylpyrrolidine
CID 123695785
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate
CID 144841415
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352
2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83053442
3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410
3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 83055756
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrrolidin-1-yl)carbamic acid?
The IUPAC name of (2-propylpyrrolidin-1-yl)carbamic acid (CID 68817633) is (2-propylpyrrolidin-1-yl)carbamic acid.
What is the SMILES notation for (2-propylpyrrolidin-1-yl)carbamic acid?
The canonical SMILES for (2-propylpyrrolidin-1-yl)carbamic acid is CCCC1CCCN1NC(=O)O.
What is the InChIKey of (2-propylpyrrolidin-1-yl)carbamic acid?
The InChIKey is XZQJJFOGWAVGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-4-7-5-3-6-10(7)9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of (2-propylpyrrolidin-1-yl)carbamic acid?
(2-propylpyrrolidin-1-yl)carbamic acid has a molecular weight of 172.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrrolidin-1-yl)carbamic acid is sourced from PubChem (CID 68817633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).