N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide

C7H14N2O3 — CID 16726082

IUPACN-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN[C@@H](CO)[C@@H]1O
InChIInChI=1S/C7H14N2O3/c1-4(11)9-5-2-8-6(3-10)7(5)12/h5-8,10,12H,2-3H2,1H3,(H,9,11)/t5-,6-,7+/m0/s1
InChIKeyCIBNSHFFZNRICG-LYFYHCNISA-N
MW174.20 g/mol
LogP-2.18
Rot. Bonds2

About N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide (PubChem CID 16726082) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
PubChem CID16726082
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC NameN-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN[C@@H](CO)[C@@H]1O
InChIInChI=1S/C7H14N2O3/c1-4(11)9-5-2-8-6(3-10)7(5)12/h5-8,10,12H,2-3H2,1H3,(H,9,11)/t5-,6-,7+/m0/s1
InChIKeyCIBNSHFFZNRICG-LYFYHCNISA-N
XLogP-2.18
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide (CID 16726082) is N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CN[C@@H](CO)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is CIBNSHFFZNRICG-LYFYHCNISA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(11)9-5-2-8-6(3-10)7(5)12/h5-8,10,12H,2-3H2,1H3,(H,9,11)/t5-,6-,7+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 174.20 g/mol, XLogP of -2.18, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 16726082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).