2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C8H16N2O3 — CID 131175978

IUPAC2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1C[C@H](O)C[C@H]1CO
InChIInChI=1S/C8H16N2O3/c1-5(8(9)13)10-3-7(12)2-6(10)4-11/h5-7,11-12H,2-4H2,1H3,(H2,9,13)/t5?,6-,7+/m0/s1
InChIKeyMEOICSAEVGNOAN-BOJSHJERSA-N
MW188.23 g/mol
LogP-1.71
Rot. Bonds3

About 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 131175978) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID131175978
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1C[C@H](O)C[C@H]1CO
InChIInChI=1S/C8H16N2O3/c1-5(8(9)13)10-3-7(12)2-6(10)4-11/h5-7,11-12H,2-4H2,1H3,(H2,9,13)/t5?,6-,7+/m0/s1
InChIKeyMEOICSAEVGNOAN-BOJSHJERSA-N
XLogP-1.71
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351300
2-(2-ethyl-4-methylpyrrolidin-1-yl)propanamide
CID 130855809
N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide
CID 66053769
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide
CID 66057242
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 130621127
[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 130193013
(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346
[6-[(2R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]urea
CID 121419437
1-propan-2-yl-5-propylpyrrolidin-3-ol
CID 102568671
1-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]tridecane-1,12-dione
CID 126580608
1-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]tridecane-1,12-dione
CID 155003231

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 131175978) is 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is CC(C(N)=O)N1C[C@H](O)C[C@H]1CO.
What is the InChIKey of 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is MEOICSAEVGNOAN-BOJSHJERSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(8(9)13)10-3-7(12)2-6(10)4-11/h5-7,11-12H,2-4H2,1H3,(H2,9,13)/t5?,6-,7+/m0/s1.
What are the key properties of 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 188.23 g/mol, XLogP of -1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 131175978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).