(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide

C7H12N2O3 — CID 45116064

IUPAC(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](O)C[C@H]1C(N)=O
InChIInChI=1S/C7H12N2O3/c1-4(10)9-3-5(11)2-6(9)7(8)12/h5-6,11H,2-3H2,1H3,(H2,8,12)/t5-,6+/m1/s1
InChIKeyYVDLRYDHRWOYDY-RITPCOANSA-N
MW172.18 g/mol
LogP-1.55
Rot. Bonds1

About (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 45116064) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID45116064
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](O)C[C@H]1C(N)=O
InChIInChI=1S/C7H12N2O3/c1-4(10)9-3-5(11)2-6(9)7(8)12/h5-6,11H,2-3H2,1H3,(H2,8,12)/t5-,6+/m1/s1
InChIKeyYVDLRYDHRWOYDY-RITPCOANSA-N
XLogP-1.55
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide (CID 45116064) is (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide is CC(=O)N1C[C@H](O)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is YVDLRYDHRWOYDY-RITPCOANSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(10)9-3-5(11)2-6(9)7(8)12/h5-6,11H,2-3H2,1H3,(H2,8,12)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 172.18 g/mol, XLogP of -1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 45116064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).