propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate

C8H15NO4 — CID 106668534

IUPACpropan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C8H15NO4/c1-5(2)13-8(12)9-3-6(10)7(11)4-9/h5-7,10-11H,3-4H2,1-2H3
InChIKeySBBLWCSCTWCBTN-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.43
Rot. Bonds1

About propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate

propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate (PubChem CID 106668534) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate
PubChem CID106668534
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namepropan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C8H15NO4/c1-5(2)13-8(12)9-3-6(10)7(11)4-9/h5-7,10-11H,3-4H2,1-2H3
InChIKeySBBLWCSCTWCBTN-UHFFFAOYSA-N
XLogP-0.43
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
CID 854055
1-Boc-3-pyrrolidinol
CID 4416939
Compound 10
CID 13329883
(3R,4R)-tert-Butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate
CID 57416936
5-(Hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
CID 14456876
3-(1,1-Dimethylethyl)-5-(hydroxymethyl)oxazolidin-2-one
CID 2802885
5-(Hydroxymethyl)-3-(1-methylethyl)oxazolidin-2-one
CID 2793992
tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate
CID 6544479
1-Methoxycarbonylpyrrolidin-2-ol
CID 14333526
rac-tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
CID 14948608
(5S)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
CID 45087456
tert-butyl (3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 53302312

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate (CID 106668534) is propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate is CC(C)OC(=O)N1CC(O)C(O)C1.
What is the InChIKey of propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate?
The InChIKey is SBBLWCSCTWCBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(2)13-8(12)9-3-6(10)7(11)4-9/h5-7,10-11H,3-4H2,1-2H3.
What are the key properties of propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate?
propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate has a molecular weight of 189.21 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 106668534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).