4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid

C10H14N6O4S — CID 43171435

IUPAC4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C10H14N6O4S/c11-7(17)3-6(9(19)20)12-8(18)4-21-10-13-14-15-16(10)5-1-2-5/h5-6H,1-4H2,(H2,11,17)(H,12,18)(H,19,20)
InChIKeyZTSMVFVGRJXSAC-UHFFFAOYSA-N
MW314.33 g/mol
LogP-1.46
Rot. Bonds8

About 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid

4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid (PubChem CID 43171435) has the molecular formula C10H14N6O4S and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid
PubChem CID43171435
Molecular FormulaC10H14N6O4S
Molecular Weight314.33 g/mol
Exact Mass314.08
IUPAC Name4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C10H14N6O4S/c11-7(17)3-6(9(19)20)12-8(18)4-21-10-13-14-15-16(10)5-1-2-5/h5-6H,1-4H2,(H2,11,17)(H,12,18)(H,19,20)
InChIKeyZTSMVFVGRJXSAC-UHFFFAOYSA-N
XLogP-1.46
TPSA153.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 43241494
4-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
CID 43242213
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
3-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
CID 43354817
4-Amino-2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-oxobutanoic acid
CID 43357124
4-Amino-4-oxo-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid
CID 43357188
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 43357773
3-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]butanoic acid
CID 43360896
2-[[2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43465362
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 43467540

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid (CID 43171435) is 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid is NC(=O)CC(NC(=O)CSc1nnnn1C1CC1)C(=O)O.
What is the InChIKey of 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid?
The InChIKey is ZTSMVFVGRJXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4S/c11-7(17)3-6(9(19)20)12-8(18)4-21-10-13-14-15-16(10)5-1-2-5/h5-6H,1-4H2,(H2,11,17)(H,12,18)(H,19,20).
What are the key properties of 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid?
4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid has a molecular weight of 314.33 g/mol, XLogP of -1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 43171435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).