3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C8H16N2O2 — CID 62737703

IUPAC3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNC(=O)CCN1CCC[C@@H]1CO
InChIInChI=1S/C8H16N2O2/c9-8(12)3-5-10-4-1-2-7(10)6-11/h7,11H,1-6H2,(H2,9,12)/t7-/m1/s1
InChIKeyIYAQXHJUIOHYJR-SSDOTTSWSA-N
MW172.23 g/mol
LogP-0.68
Rot. Bonds4

About 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 62737703) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID62737703
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNC(=O)CCN1CCC[C@@H]1CO
InChIInChI=1S/C8H16N2O2/c9-8(12)3-5-10-4-1-2-7(10)6-11/h7,11H,1-6H2,(H2,9,12)/t7-/m1/s1
InChIKeyIYAQXHJUIOHYJR-SSDOTTSWSA-N
XLogP-0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78942125
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
(3S,4R)-3-hydroxy-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylhexanamide
CID 118374753
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid
CID 142779495
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731
ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide
CID 169228895

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 62737703) is 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is NC(=O)CCN1CCC[C@@H]1CO.
What is the InChIKey of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is IYAQXHJUIOHYJR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-8(12)3-5-10-4-1-2-7(10)6-11/h7,11H,1-6H2,(H2,9,12)/t7-/m1/s1.
What are the key properties of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 172.23 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 62737703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).