2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid

C12H13N5O3S — CID 60827025

IUPAC2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1nnc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C12H13N5O3S/c18-10(16(7-11(19)20)8-3-4-8)6-17-14-12(13-15-17)9-2-1-5-21-9/h1-2,5,8H,3-4,6-7H2,(H,19,20)
InChIKeyHTBMHNLHTFLLMQ-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.48
Rot. Bonds6

About 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid (PubChem CID 60827025) has the molecular formula C12H13N5O3S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
PubChem CID60827025
Molecular FormulaC12H13N5O3S
Molecular Weight307.33 g/mol
Exact Mass307.07
IUPAC Name2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1nnc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C12H13N5O3S/c18-10(16(7-11(19)20)8-3-4-8)6-17-14-12(13-15-17)9-2-1-5-21-9/h1-2,5,8H,3-4,6-7H2,(H,19,20)
InChIKeyHTBMHNLHTFLLMQ-UHFFFAOYSA-N
XLogP0.48
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43172401
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761
N-(cyclopenten-1-yl)-N-ethyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 9114265
N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107202006
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 17475815
(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144444
N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
CID 3190185
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 862090
3-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 64670550
1-[[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449963

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid (CID 60827025) is 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)Cn1nnc(-c2cccs2)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid?
The InChIKey is HTBMHNLHTFLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c18-10(16(7-11(19)20)8-3-4-8)6-17-14-12(13-15-17)9-2-1-5-21-9/h1-2,5,8H,3-4,6-7H2,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid has a molecular weight of 307.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60827025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).