2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid

C9H13N5O4S — CID 43357773

IUPAC2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CSc1nnnn1C1CC1)NC(CO)C(=O)O
InChIInChI=1S/C9H13N5O4S/c15-3-6(8(17)18)10-7(16)4-19-9-11-12-13-14(9)5-1-2-5/h5-6,15H,1-4H2,(H,10,16)(H,17,18)
InChIKeyXJKNTWZFNRMTTJ-UHFFFAOYSA-N
MW287.30 g/mol
LogP-1.34
Rot. Bonds7

About 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid (PubChem CID 43357773) has the molecular formula C9H13N5O4S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
PubChem CID43357773
Molecular FormulaC9H13N5O4S
Molecular Weight287.30 g/mol
Exact Mass287.07
IUPAC Name2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CSc1nnnn1C1CC1)NC(CO)C(=O)O
InChIInChI=1S/C9H13N5O4S/c15-3-6(8(17)18)10-7(16)4-19-9-11-12-13-14(9)5-1-2-5/h5-6,15H,1-4H2,(H,10,16)(H,17,18)
InChIKeyXJKNTWZFNRMTTJ-UHFFFAOYSA-N
XLogP-1.34
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

Methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetate
CID 25647596
4-Amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid
CID 43171435
2-[[2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 43171654
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 43241494
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
CID 43242214
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
CID 43244973
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-methylsulfanylbutanoic acid
CID 43353448
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxybutanoic acid
CID 43353709
3-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
CID 43354817
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 43416214
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417587
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43417895

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid (CID 43357773) is 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid is O=C(CSc1nnnn1C1CC1)NC(CO)C(=O)O.
What is the InChIKey of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is XJKNTWZFNRMTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4S/c15-3-6(8(17)18)10-7(16)4-19-9-11-12-13-14(9)5-1-2-5/h5-6,15H,1-4H2,(H,10,16)(H,17,18).
What are the key properties of 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid?
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 287.30 g/mol, XLogP of -1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).