2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid

C11H17N5O3S — CID 43631018

IUPAC2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C11H17N5O3S/c1-2-3-8(10(18)19)12-9(17)6-20-11-13-14-15-16(11)7-4-5-7/h7-8H,2-6H2,1H3,(H,12,17)(H,18,19)
InChIKeyDZLMVQBKMLUENQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.47
Rot. Bonds8

About 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid (PubChem CID 43631018) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid
PubChem CID43631018
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C11H17N5O3S/c1-2-3-8(10(18)19)12-9(17)6-20-11-13-14-15-16(11)7-4-5-7/h7-8H,2-6H2,1H3,(H,12,17)(H,18,19)
InChIKeyDZLMVQBKMLUENQ-UHFFFAOYSA-N
XLogP0.47
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid with MolForge

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Related Compounds

Methyl 2-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoate
CID 18098771
Methyl 2-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoate
CID 18098929
Methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoate
CID 18098958
Methyl 3-methyl-2-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]pentanoate
CID 18099152
Methyl 2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoate
CID 18099258
Methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetate
CID 25647596
1-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 43169495
4-Amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid
CID 43171435
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 43241494
6-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]hexanoic acid
CID 43241520
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 43241546
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoic acid
CID 43241547

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid (CID 43631018) is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid is CCCC(NC(=O)CSc1nnnn1C1CC1)C(=O)O.
What is the InChIKey of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid?
The InChIKey is DZLMVQBKMLUENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-2-3-8(10(18)19)12-9(17)6-20-11-13-14-15-16(11)7-4-5-7/h7-8H,2-6H2,1H3,(H,12,17)(H,18,19).
What are the key properties of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid?
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid has a molecular weight of 299.36 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]pentanoic acid is sourced from PubChem (CID 43631018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).