N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide

C13H16N2O4 — CID 106671409

IUPACN-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC(O)C(O)C2)c1
InChIInChI=1S/C13H16N2O4/c1-8(16)14-10-4-2-3-9(5-10)13(19)15-6-11(17)12(18)7-15/h2-5,11-12,17-18H,6-7H2,1H3,(H,14,16)
InChIKeySCJCVGSDCURYNB-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.18
Rot. Bonds2

About N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide

N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 106671409) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID106671409
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC(O)C(O)C2)c1
InChIInChI=1S/C13H16N2O4/c1-8(16)14-10-4-2-3-9(5-10)13(19)15-6-11(17)12(18)7-15/h2-5,11-12,17-18H,6-7H2,1H3,(H,14,16)
InChIKeySCJCVGSDCURYNB-UHFFFAOYSA-N
XLogP-0.18
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
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N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
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CID 110365637
(3S,4S)-1-(3-acetamidobenzoyl)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 166317665
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]acetamide
CID 120744908
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide (CID 106671409) is N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CC(O)C(O)C2)c1.
What is the InChIKey of N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is SCJCVGSDCURYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)14-10-4-2-3-9(5-10)13(19)15-6-11(17)12(18)7-15/h2-5,11-12,17-18H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide?
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 106671409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).