N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide

C16H17N3O3 — CID 110132999

IUPACN-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1O
InChIInChI=1S/C16H17N3O3/c1-10(20)18-14-8-19(9-15(14)21)16(22)12-6-11-4-2-3-5-13(11)17-7-12/h2-7,14-15,21H,8-9H2,1H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyFOMXHBHRVUQRII-HUUCEWRRSA-N
MW299.33 g/mol
LogP0.56
Rot. Bonds2

About N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 110132999) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID110132999
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1O
InChIInChI=1S/C16H17N3O3/c1-10(20)18-14-8-19(9-15(14)21)16(22)12-6-11-4-2-3-5-13(11)17-7-12/h2-7,14-15,21H,8-9H2,1H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyFOMXHBHRVUQRII-HUUCEWRRSA-N
XLogP0.56
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide (CID 110132999) is N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is FOMXHBHRVUQRII-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(20)18-14-8-19(9-15(14)21)16(22)12-6-11-4-2-3-5-13(11)17-7-12/h2-7,14-15,21H,8-9H2,1H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 299.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 110132999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).