2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid

C12H13N5O4 — CID 61329417

IUPAC2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
SMILESCc1nnnn1-c1cccc(NC(=O)COCC(=O)O)c1
InChIInChI=1S/C12H13N5O4/c1-8-14-15-16-17(8)10-4-2-3-9(5-10)13-11(18)6-21-7-12(19)20/h2-5H,6-7H2,1H3,(H,13,18)(H,19,20)
InChIKeyVFGKVWFPGYGQTD-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.01
Rot. Bonds6

About 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid

2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid (PubChem CID 61329417) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
PubChem CID61329417
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
SMILESCc1nnnn1-c1cccc(NC(=O)COCC(=O)O)c1
InChIInChI=1S/C12H13N5O4/c1-8-14-15-16-17(8)10-4-2-3-9(5-10)13-11(18)6-21-7-12(19)20/h2-5H,6-7H2,1H3,(H,13,18)(H,19,20)
InChIKeyVFGKVWFPGYGQTD-UHFFFAOYSA-N
XLogP0.01
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 78864201
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
3-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 81070653
4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 55677152
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid (CID 61329417) is 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid is Cc1nnnn1-c1cccc(NC(=O)COCC(=O)O)c1.
What is the InChIKey of 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is VFGKVWFPGYGQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-8-14-15-16-17(8)10-4-2-3-9(5-10)13-11(18)6-21-7-12(19)20/h2-5H,6-7H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid?
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 291.27 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).