3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide

C8H16N2O3 — CID 130609050

IUPAC3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide
SMILESC[C@@H](CO)NC(=O)N1CCC(O)C1
InChIInChI=1S/C8H16N2O3/c1-6(5-11)9-8(13)10-3-2-7(12)4-10/h6-7,11-12H,2-5H2,1H3,(H,9,13)/t6-,7?/m0/s1
InChIKeyQZFRTMDOVCITAT-PKPIPKONSA-N
MW188.23 g/mol
LogP-0.86
Rot. Bonds2

About 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide

3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 130609050) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide
PubChem CID130609050
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide
SMILESC[C@@H](CO)NC(=O)N1CCC(O)C1
InChIInChI=1S/C8H16N2O3/c1-6(5-11)9-8(13)10-3-2-7(12)4-10/h6-7,11-12H,2-5H2,1H3,(H,9,13)/t6-,7?/m0/s1
InChIKeyQZFRTMDOVCITAT-PKPIPKONSA-N
XLogP-0.86
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
3-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
3-hydroxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 78892643
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
(2R)-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104910273
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 62942124
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide (CID 130609050) is 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide is C[C@@H](CO)NC(=O)N1CCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is QZFRTMDOVCITAT-PKPIPKONSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(5-11)9-8(13)10-3-2-7(12)4-10/h6-7,11-12H,2-5H2,1H3,(H,9,13)/t6-,7?/m0/s1.
What are the key properties of 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide?
3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 188.23 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 130609050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).