2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid

C11H17N5O4S — CID 60840069

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
SMILESO=C(O)CN(Cc1nnnn1C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N5O4S/c17-11(18)6-15(9-3-4-21(19,20)7-9)5-10-12-13-14-16(10)8-1-2-8/h8-9H,1-7H2,(H,17,18)
InChIKeyPMXPHNFLORHYIA-UHFFFAOYSA-N
MW315.36 g/mol
LogP-0.92
Rot. Bonds6

About 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid

2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid (PubChem CID 60840069) has the molecular formula C11H17N5O4S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
PubChem CID60840069
Molecular FormulaC11H17N5O4S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
SMILESO=C(O)CN(Cc1nnnn1C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N5O4S/c17-11(18)6-15(9-3-4-21(19,20)7-9)5-10-12-13-14-16(10)8-1-2-8/h8-9H,1-7H2,(H,17,18)
InChIKeyPMXPHNFLORHYIA-UHFFFAOYSA-N
XLogP-0.92
TPSA118.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60839894
2-[(1,1-Dioxothiolan-3-yl)-[(1-propyltetrazol-5-yl)methyl]amino]acetic acid
CID 60840243
2-[(1,1-Dioxothiolan-3-yl)-(1-methyltetrazol-5-yl)amino]acetic acid
CID 63152209
2-[(1,1-Dioxothiolan-3-yl)-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 65601801
2-[(1,1-Dioxothiolan-3-yl)-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 65611061
2-[(1,1-Dioxothiolan-3-yl)-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 65611062
2-[(1,1-Dioxothiolan-3-yl)-[(2-ethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 65611263
2-[5-(1,1-Dioxothiolan-3-yl)tetrazol-1-yl]propanoic acid
CID 66042181
2-[5-(1,1-Dioxothiolan-3-yl)tetrazol-1-yl]acetic acid
CID 66043169
2-[(1,1-Dioxothiolan-3-yl)-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 81668170
4-[(1-Cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid
CID 82908861

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid (CID 60840069) is 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid is O=C(O)CN(Cc1nnnn1C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
The InChIKey is PMXPHNFLORHYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4S/c17-11(18)6-15(9-3-4-21(19,20)7-9)5-10-12-13-14-16(10)8-1-2-8/h8-9H,1-7H2,(H,17,18).
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid has a molecular weight of 315.36 g/mol, XLogP of -0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid is sourced from PubChem (CID 60840069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).