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

C7H14N2O2 — CID 110202602

IUPACN-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CNC[C@H]1CO
InChIInChI=1S/C7H14N2O2/c1-5(11)9-7-3-8-2-6(7)4-10/h6-8,10H,2-4H2,1H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyGYHOZHXQWSDSDJ-NKWVEPMBSA-N
MW158.20 g/mol
LogP-1.30
Rot. Bonds2

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

N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide (PubChem CID 110202602) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
PubChem CID110202602
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CNC[C@H]1CO
InChIInChI=1S/C7H14N2O2/c1-5(11)9-7-3-8-2-6(7)4-10/h6-8,10H,2-4H2,1H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyGYHOZHXQWSDSDJ-NKWVEPMBSA-N
XLogP-1.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide (CID 110202602) is N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CNC[C@H]1CO.
What is the InChIKey of N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is GYHOZHXQWSDSDJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(11)9-7-3-8-2-6(7)4-10/h6-8,10H,2-4H2,1H3,(H,9,11)/t6-,7+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 158.20 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 110202602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).