4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid

C10H18N6O3 — CID 71201895

IUPAC4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C10H18N6O3/c1-7(4-5-9(17)18)12-10(19)11-6-2-3-8-13-15-16-14-8/h7H,2-6H2,1H3,(H,17,18)(H2,11,12,19)(H,13,14,15,16)
InChIKeyWUAXCMRQIKHMSR-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.32
Rot. Bonds8

About 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid

4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid (PubChem CID 71201895) has the molecular formula C10H18N6O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid
PubChem CID71201895
Molecular FormulaC10H18N6O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C10H18N6O3/c1-7(4-5-9(17)18)12-10(19)11-6-2-3-8-13-15-16-14-8/h7H,2-6H2,1H3,(H,17,18)(H2,11,12,19)(H,13,14,15,16)
InChIKeyWUAXCMRQIKHMSR-UHFFFAOYSA-N
XLogP-0.32
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid (CID 71201895) is 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid is CC(CCC(=O)O)NC(=O)NCCCc1nn[nH]n1.
What is the InChIKey of 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid?
The InChIKey is WUAXCMRQIKHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3/c1-7(4-5-9(17)18)12-10(19)11-6-2-3-8-13-15-16-14-8/h7H,2-6H2,1H3,(H,17,18)(H2,11,12,19)(H,13,14,15,16).
What are the key properties of 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid?
4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.32, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2H-tetrazol-5-yl)propylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 71201895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).