7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid

C10H17N5O3 — CID 24702857

IUPAC7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Cn1cnnn1
InChIInChI=1S/C10H17N5O3/c16-9(7-15-8-12-13-14-15)11-6-4-2-1-3-5-10(17)18/h8H,1-7H2,(H,11,16)(H,17,18)
InChIKeyBWPVDLZZWQENNT-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.18
Rot. Bonds9

About 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid

7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid (PubChem CID 24702857) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid
PubChem CID24702857
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Cn1cnnn1
InChIInChI=1S/C10H17N5O3/c16-9(7-15-8-12-13-14-15)11-6-4-2-1-3-5-10(17)18/h8H,1-7H2,(H,11,16)(H,17,18)
InChIKeyBWPVDLZZWQENNT-UHFFFAOYSA-N
XLogP-0.18
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
CID 115348185
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide
CID 60559251
6-[[2-[4,7,10-tris[2-(5-carboxypentylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoic acid
CID 122205584
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 62033038
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
3-[ethyl-[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 61007985
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
3-[4-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 81369358

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid (CID 24702857) is 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)Cn1cnnn1.
What is the InChIKey of 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid?
The InChIKey is BWPVDLZZWQENNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c16-9(7-15-8-12-13-14-15)11-6-4-2-1-3-5-10(17)18/h8H,1-7H2,(H,11,16)(H,17,18).
What are the key properties of 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid?
7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid has a molecular weight of 255.28 g/mol, XLogP of -0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid is sourced from PubChem (CID 24702857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).