(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C11H20N2O3 — CID 14607704

IUPAC(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)O
InChIInChI=1S/C11H20N2O3/c1-7(2)12-10(15)9-5-4-6-13(9)11(16)8(3)14/h7-9,14H,4-6H2,1-3H3,(H,12,15)/t8-,9-/m0/s1
InChIKeyREILXTGHWWIWHS-IUCAKERBSA-N
MW228.29 g/mol
LogP-0.12
Rot. Bonds3

About (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 14607704) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID14607704
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)O
InChIInChI=1S/C11H20N2O3/c1-7(2)12-10(15)9-5-4-6-13(9)11(16)8(3)14/h7-9,14H,4-6H2,1-3H3,(H,12,15)/t8-,9-/m0/s1
InChIKeyREILXTGHWWIWHS-IUCAKERBSA-N
XLogP-0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
1-(2-acetamido-3,3-dimethylbutanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 59540150
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
(2S)-1-[(2S)-2,3-dimethylbutanoyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pyrrolidine-2-carboxamide
CID 163895120
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 59540311
2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 18232494
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 14607704) is (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)O.
What is the InChIKey of (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is REILXTGHWWIWHS-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)12-10(15)9-5-4-6-13(9)11(16)8(3)14/h7-9,14H,4-6H2,1-3H3,(H,12,15)/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 14607704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).