2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid

C11H21N5O2 — CID 43631568

IUPAC2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid
SMILESCCCCn1nnnc1CNC(CCC)C(=O)O
InChIInChI=1S/C11H21N5O2/c1-3-5-7-16-10(13-14-15-16)8-12-9(6-4-2)11(17)18/h9,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyZRWQXJRSQJFVPK-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.82
Rot. Bonds9

About 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid

2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid (PubChem CID 43631568) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid
PubChem CID43631568
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid
SMILESCCCCn1nnnc1CNC(CCC)C(=O)O
InChIInChI=1S/C11H21N5O2/c1-3-5-7-16-10(13-14-15-16)8-12-9(6-4-2)11(17)18/h9,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyZRWQXJRSQJFVPK-UHFFFAOYSA-N
XLogP0.82
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
CID 79809474
2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid
CID 62108843
2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid
CID 62637803
4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529658
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
3-[(1-butyltetrazol-5-yl)methylsulfanyl]butanoic acid
CID 66137611
(2S)-2-amino-3-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-methylbutanoic acid
CID 106443345
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
4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid
CID 65290086
(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 107774522

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid (CID 43631568) is 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid is CCCCn1nnnc1CNC(CCC)C(=O)O.
What is the InChIKey of 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid?
The InChIKey is ZRWQXJRSQJFVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-5-7-16-10(13-14-15-16)8-12-9(6-4-2)11(17)18/h9,12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid?
2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid has a molecular weight of 255.32 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43631568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).