2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid

C13H17N5O2 — CID 65224474

IUPAC2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid
SMILESCCCC(CNc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C13H17N5O2/c1-2-6-10(12(19)20)9-14-13-15-16-17-18(13)11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,19,20)(H,14,15,17)
InChIKeySZMHPHOPDKKGFO-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.58
Rot. Bonds7

About 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid

2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid (PubChem CID 65224474) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid
PubChem CID65224474
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid
SMILESCCCC(CNc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C13H17N5O2/c1-2-6-10(12(19)20)9-14-13-15-16-17-18(13)11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,19,20)(H,14,15,17)
InChIKeySZMHPHOPDKKGFO-UHFFFAOYSA-N
XLogP1.58
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 133300991
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
(2S)-2-[2-[(1-phenyltetrazol-5-yl)amino]butanoylamino]hexanoic acid
CID 120615255
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
3-[methyl-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]amino]propanoic acid
CID 119362556
1-(1-phenyltetrazol-5-yl)hexan-3-ol
CID 79422541
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
2-[(quinolin-2-ylamino)methyl]pentanoic acid
CID 65224429
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
CID 60855788
2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
CID 106186033
4-[(1-phenyltetrazol-5-yl)amino]benzoic acid
CID 43172025
4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
CID 106244044

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid (CID 65224474) is 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid is CCCC(CNc1nnnn1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid?
The InChIKey is SZMHPHOPDKKGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-6-10(12(19)20)9-14-13-15-16-17-18(13)11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,19,20)(H,14,15,17).
What are the key properties of 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid?
2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65224474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).