1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid

C9H17NO3 — CID 89128848

IUPAC1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(C)N1CCC(O)C1C(=O)O
InChIInChI=1S/C9H17NO3/c1-3-6(2)10-5-4-7(11)8(10)9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyCDOZWRWIEFGDOE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.30
Rot. Bonds3

About 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid

1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 89128848) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid
PubChem CID89128848
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(C)N1CCC(O)C1C(=O)O
InChIInChI=1S/C9H17NO3/c1-3-6(2)10-5-4-7(11)8(10)9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyCDOZWRWIEFGDOE-UHFFFAOYSA-N
XLogP0.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid
CID 174164548
3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 102787447
3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 102787242
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 176761287
1-(1-cyclobutylpropan-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786655
(2S)-1-(2-carboxypropanoyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 22799644
1-ethoxycarbonyl-3-hydroxypyrrolidine-2-carboxylic acid
CID 131424901
1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
(2S)-1-[(1R)-1-hydroxypropyl]azetidine-2-carboxylic acid
CID 162895327
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid (CID 89128848) is 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid is CCC(C)N1CCC(O)C1C(=O)O.
What is the InChIKey of 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is CDOZWRWIEFGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-6(2)10-5-4-7(11)8(10)9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid?
1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 89128848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).