4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid

C9H15NO4 — CID 129393375

IUPAC4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C9H15NO4/c11-6-7-3-4-10(5-7)8(12)1-2-9(13)14/h7,11H,1-6H2,(H,13,14)/t7-/m1/s1
InChIKeyHCQOBEJFEVTOHB-SSDOTTSWSA-N
MW201.22 g/mol
LogP-0.31
Rot. Bonds4

About 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid

4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid (PubChem CID 129393375) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
PubChem CID129393375
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C9H15NO4/c11-6-7-3-4-10(5-7)8(12)1-2-9(13)14/h7,11H,1-6H2,(H,13,14)/t7-/m1/s1
InChIKeyHCQOBEJFEVTOHB-SSDOTTSWSA-N
XLogP-0.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
3-chloro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 112624806
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 43590262
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 112625056
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 54876368
2-[1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 112624717
3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 103209043
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 43422393

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid (CID 129393375) is 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CC[C@@H](CO)C1.
What is the InChIKey of 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The InChIKey is HCQOBEJFEVTOHB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO4/c11-6-7-3-4-10(5-7)8(12)1-2-9(13)14/h7,11H,1-6H2,(H,13,14)/t7-/m1/s1.
What are the key properties of 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid has a molecular weight of 201.22 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 129393375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).