2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid

C13H15N5O2 — CID 43656375

IUPAC2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H15N5O2/c19-12(20)9-17(8-10-6-7-10)13-14-15-16-18(13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,19,20)
InChIKeyTZBMNNRCJUBTDT-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.96
Rot. Bonds6

About 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid

2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid (PubChem CID 43656375) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid
PubChem CID43656375
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H15N5O2/c19-12(20)9-17(8-10-6-7-10)13-14-15-16-18(13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,19,20)
InChIKeyTZBMNNRCJUBTDT-UHFFFAOYSA-N
XLogP0.96
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate
CID 62006681
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide
CID 76911864
3-[ethyl-(1-phenyltetrazol-5-yl)amino]propanethioamide
CID 54992501
2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid
CID 43656331
2-[N-(cyclohexylmethyl)anilino]acetic acid
CID 60839263
1-[ethyl-(1-phenyltetrazol-5-yl)amino]-2-methylpropan-2-ol
CID 79389793
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid
CID 43656381
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
CID 167971120
2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid
CID 79263009

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid (CID 43656375) is 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid is O=C(O)CN(CC1CC1)c1nnnn1-c1ccccc1.
What is the InChIKey of 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid?
The InChIKey is TZBMNNRCJUBTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-12(20)9-17(8-10-6-7-10)13-14-15-16-18(13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid?
2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid has a molecular weight of 273.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid is sourced from PubChem (CID 43656375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).