4-hydroxy-1-propanoylpyrrolidine-2-carboxamide

C8H14N2O3 — CID 64591082

IUPAC4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C8H14N2O3/c1-2-7(12)10-4-5(11)3-6(10)8(9)13/h5-6,11H,2-4H2,1H3,(H2,9,13)
InChIKeyREVADQFXOOVTPG-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.16
Rot. Bonds2

About 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide

4-hydroxy-1-propanoylpyrrolidine-2-carboxamide (PubChem CID 64591082) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
PubChem CID64591082
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C8H14N2O3/c1-2-7(12)10-4-5(11)3-6(10)8(9)13/h5-6,11H,2-4H2,1H3,(H2,9,13)
InChIKeyREVADQFXOOVTPG-UHFFFAOYSA-N
XLogP-1.16
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 113308902
4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
CID 79260481
(2S,4S)-1-(3,3-dimethylbutanoyl)-4-methylpyrrolidine-2-carboxamide
CID 66828881
(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 141098596
1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65227708
1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 65269624
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60952757
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54874193
4-hydroxy-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 62846717

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide (CID 64591082) is 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide is CCC(=O)N1CC(O)CC1C(N)=O.
What is the InChIKey of 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide?
The InChIKey is REVADQFXOOVTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-7(12)10-4-5(11)3-6(10)8(9)13/h5-6,11H,2-4H2,1H3,(H2,9,13).
What are the key properties of 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide?
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide has a molecular weight of 186.21 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-propanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 64591082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).