(2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid

C6H9N5O4 — CID 54431534

IUPAC(2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid
SMILESN[C@H](C(=O)O)C(CC(=O)O)n1cnnn1
InChIInChI=1S/C6H9N5O4/c7-5(6(14)15)3(1-4(12)13)11-2-8-9-10-11/h2-3,5H,1,7H2,(H,12,13)(H,14,15)/t3?,5-/m0/s1
InChIKeyWHUVZRQHFKPISQ-PVPKANODSA-N
MW215.17 g/mol
LogP-1.90
Rot. Bonds5

About (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid

(2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid (PubChem CID 54431534) has the molecular formula C6H9N5O4 and a molecular weight of 215.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid
PubChem CID54431534
Molecular FormulaC6H9N5O4
Molecular Weight215.17 g/mol
Exact Mass215.07
IUPAC Name(2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid
SMILESN[C@H](C(=O)O)C(CC(=O)O)n1cnnn1
InChIInChI=1S/C6H9N5O4/c7-5(6(14)15)3(1-4(12)13)11-2-8-9-10-11/h2-3,5H,1,7H2,(H,12,13)(H,14,15)/t3?,5-/m0/s1
InChIKeyWHUVZRQHFKPISQ-PVPKANODSA-N
XLogP-1.90
TPSA144.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid
CID 39732347
2-(tetrazol-1-yl)butanoic acid
CID 21280327
(2S)-2,3-diaminopentanedioic acid;dihydrochloride
CID 156620465
(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
(3R)-2-amino-3-methylpentanedioic acid
CID 90857110
(2R,3S)-2-amino-3-cyanopentanedioic acid
CID 162885810
3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81065301
2-(tetrazol-1-yl)propane-1-sulfonic acid
CID 54236859
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
3-amino-3-(3-methyltriazol-4-yl)propanoic acid
CID 131049940

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid?
The IUPAC name of (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid (CID 54431534) is (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid.
What is the SMILES notation for (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid?
The canonical SMILES for (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid is N[C@H](C(=O)O)C(CC(=O)O)n1cnnn1.
What is the InChIKey of (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid?
The InChIKey is WHUVZRQHFKPISQ-PVPKANODSA-N. The full InChI is InChI=1S/C6H9N5O4/c7-5(6(14)15)3(1-4(12)13)11-2-8-9-10-11/h2-3,5H,1,7H2,(H,12,13)(H,14,15)/t3?,5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid?
(2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid has a molecular weight of 215.17 g/mol, XLogP of -1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid is sourced from PubChem (CID 54431534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).