N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide

C14H18N2O4 — CID 79410437

IUPACN-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)10-3-2-4-11(5-10)15-14(20)8-16-6-12(18)13(19)7-16/h2-5,12-13,18-19H,6-8H2,1H3,(H,15,20)/t12-,13+
InChIKeyRYRJHLMUKDZQPE-BETUJISGSA-N
MW278.31 g/mol
LogP-0.13
Rot. Bonds4

About N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide

N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide (PubChem CID 79410437) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
PubChem CID79410437
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)10-3-2-4-11(5-10)15-14(20)8-16-6-12(18)13(19)7-16/h2-5,12-13,18-19H,6-8H2,1H3,(H,15,20)/t12-,13+
InChIKeyRYRJHLMUKDZQPE-BETUJISGSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493231
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 22199681
N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide
CID 71854602
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 52689774
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(3-acetylphenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98193630
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide (CID 79410437) is N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
The InChIKey is RYRJHLMUKDZQPE-BETUJISGSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)10-3-2-4-11(5-10)15-14(20)8-16-6-12(18)13(19)7-16/h2-5,12-13,18-19H,6-8H2,1H3,(H,15,20)/t12-,13+.
What are the key properties of N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide has a molecular weight of 278.31 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 79410437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).