2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid

C8H14N2O4 — CID 59039273

IUPAC2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid
SMILESCC(=O)N[C@H]1CN(CC(=O)O)C[C@@H]1O
InChIInChI=1S/C8H14N2O4/c1-5(11)9-6-2-10(3-7(6)12)4-8(13)14/h6-7,12H,2-4H2,1H3,(H,9,11)(H,13,14)/t6-,7-/m0/s1
InChIKeyHNNPCHVYYAUIPG-BQBZGAKWSA-N
MW202.21 g/mol
LogP-1.75
Rot. Bonds3

About 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid

2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid (PubChem CID 59039273) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid
PubChem CID59039273
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid
SMILESCC(=O)N[C@H]1CN(CC(=O)O)C[C@@H]1O
InChIInChI=1S/C8H14N2O4/c1-5(11)9-6-2-10(3-7(6)12)4-8(13)14/h6-7,12H,2-4H2,1H3,(H,9,11)(H,13,14)/t6-,7-/m0/s1
InChIKeyHNNPCHVYYAUIPG-BQBZGAKWSA-N
XLogP-1.75
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid (CID 59039273) is 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid is CC(=O)N[C@H]1CN(CC(=O)O)C[C@@H]1O.
What is the InChIKey of 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid?
The InChIKey is HNNPCHVYYAUIPG-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5(11)9-6-2-10(3-7(6)12)4-8(13)14/h6-7,12H,2-4H2,1H3,(H,9,11)(H,13,14)/t6-,7-/m0/s1.
What are the key properties of 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid?
2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid has a molecular weight of 202.21 g/mol, XLogP of -1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 59039273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).