1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H19N5O3 — CID 114351710

IUPAC1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCn1nnnc1CN1CC(O)CC1C(=O)O
InChIInChI=1S/C11H19N5O3/c1-2-3-4-16-10(12-13-14-16)7-15-6-8(17)5-9(15)11(18)19/h8-9,17H,2-7H2,1H3,(H,18,19)
InChIKeyOYMXXMBQOHBXQH-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.51
Rot. Bonds6

About 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351710) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351710
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCn1nnnc1CN1CC(O)CC1C(=O)O
InChIInChI=1S/C11H19N5O3/c1-2-3-4-16-10(12-13-14-16)7-15-6-8(17)5-9(15)11(18)19/h8-9,17H,2-7H2,1H3,(H,18,19)
InChIKeyOYMXXMBQOHBXQH-UHFFFAOYSA-N
XLogP-0.51
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529658
1-[(2S)-2-[(2R)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346528
(1-butyltetrazol-5-yl)methyl (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 55926188
(2R,6S)-4-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94015004
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072228
(2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-methylpiperazine
CID 82714015
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727
1-butyl-5-propyltetrazole
CID 69032145
3-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137503

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351710) is 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCCCn1nnnc1CN1CC(O)CC1C(=O)O.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is OYMXXMBQOHBXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-2-3-4-16-10(12-13-14-16)7-15-6-8(17)5-9(15)11(18)19/h8-9,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).