methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate

C10H17NO4 — CID 168692637

IUPACmethyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCCC(CO)N1CC(C(=O)OC)CC1=O
InChIInChI=1S/C10H17NO4/c1-3-8(6-12)11-5-7(4-9(11)13)10(14)15-2/h7-8,12H,3-6H2,1-2H3
InChIKeyKFRDHFSPGHLEMD-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.22
Rot. Bonds4

About methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168692637) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168692637
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCCC(CO)N1CC(C(=O)OC)CC1=O
InChIInChI=1S/C10H17NO4/c1-3-8(6-12)11-5-7(4-9(11)13)10(14)15-2/h7-8,12H,3-6H2,1-2H3
InChIKeyKFRDHFSPGHLEMD-UHFFFAOYSA-N
XLogP-0.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
methyl 1-(5-methylhexan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692553
4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
CID 130995183
4-amino-1-[(2R)-1-hydroxybutan-2-yl]pyrrolidin-2-one
CID 130617471
methyl 1-(1-hydroxydodecyl)-5-oxopyrrolidine-3-carboxylate
CID 175203530
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
CID 168692750
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692820
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
methyl (3S)-1-[(1S)-1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 94077393

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate (CID 168692637) is methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate is CCC(CO)N1CC(C(=O)OC)CC1=O.
What is the InChIKey of methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is KFRDHFSPGHLEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-8(6-12)11-5-7(4-9(11)13)10(14)15-2/h7-8,12H,3-6H2,1-2H3.
What are the key properties of methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168692637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).