2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid

C9H13N5O4 — CID 70168229

IUPAC2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
SMILESNC(C(=O)O)C1C(CCc2nn[nH]n2)C1C(=O)O
InChIInChI=1S/C9H13N5O4/c10-7(9(17)18)5-3(6(5)8(15)16)1-2-4-11-13-14-12-4/h3,5-7H,1-2,10H2,(H,15,16)(H,17,18)(H,11,12,13,14)
InChIKeyHQWJQFRONJBMNR-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.51
Rot. Bonds6

About 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid

2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 70168229) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID70168229
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
SMILESNC(C(=O)O)C1C(CCc2nn[nH]n2)C1C(=O)O
InChIInChI=1S/C9H13N5O4/c10-7(9(17)18)5-3(6(5)8(15)16)1-2-4-11-13-14-12-4/h3,5-7H,1-2,10H2,(H,15,16)(H,17,18)(H,11,12,13,14)
InChIKeyHQWJQFRONJBMNR-UHFFFAOYSA-N
XLogP-1.51
TPSA155.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid (CID 70168229) is 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid is NC(C(=O)O)C1C(CCc2nn[nH]n2)C1C(=O)O.
What is the InChIKey of 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is HQWJQFRONJBMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4/c10-7(9(17)18)5-3(6(5)8(15)16)1-2-4-11-13-14-12-4/h3,5-7H,1-2,10H2,(H,15,16)(H,17,18)(H,11,12,13,14).
What are the key properties of 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid?
2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70168229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).