N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

C10H18N2O3 — CID 66261585

IUPACN-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C10H18N2O3/c1-7(11-8(2)14)10(15)12-5-3-4-9(12)6-13/h7,9,13H,3-6H2,1-2H3,(H,11,14)/t7?,9-/m0/s1
InChIKeyGHFQSWCRLACJJQ-NETXQHHPSA-N
MW214.26 g/mol
LogP-0.51
Rot. Bonds3

About N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 66261585) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID66261585
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C10H18N2O3/c1-7(11-8(2)14)10(15)12-5-3-4-9(12)6-13/h7,9,13H,3-6H2,1-2H3,(H,11,14)/t7?,9-/m0/s1
InChIKeyGHFQSWCRLACJJQ-NETXQHHPSA-N
XLogP-0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 55076215
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521
N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 61408944
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62839819
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
2-(butan-2-ylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107218138

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 66261585) is N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)NC(C)C(=O)N1CCC[C@H]1CO.
What is the InChIKey of N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is GHFQSWCRLACJJQ-NETXQHHPSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(11-8(2)14)10(15)12-5-3-4-9(12)6-13/h7,9,13H,3-6H2,1-2H3,(H,11,14)/t7?,9-/m0/s1.
What are the key properties of N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 214.26 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 66261585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).