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

C10H14N6O4S — CID 43465362

IUPAC2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H14N6O4S/c17-7(12-4-9(19)20)3-11-8(18)5-21-10-13-14-15-16(10)6-1-2-6/h6H,1-5H2,(H,11,18)(H,12,17)(H,19,20)
InChIKeyDDOLTTROFRVNCK-UHFFFAOYSA-N
MW314.33 g/mol
LogP-1.58
Rot. Bonds8

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

2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid (PubChem CID 43465362) has the molecular formula C10H14N6O4S and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid
PubChem CID43465362
Molecular FormulaC10H14N6O4S
Molecular Weight314.33 g/mol
Exact Mass314.08
IUPAC Name2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H14N6O4S/c17-7(12-4-9(19)20)3-11-8(18)5-21-10-13-14-15-16(10)6-1-2-6/h6H,1-5H2,(H,11,18)(H,12,17)(H,19,20)
InChIKeyDDOLTTROFRVNCK-UHFFFAOYSA-N
XLogP-1.58
TPSA139.10 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 ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[[2-[(1-Cyclopropyl-1H-tetrazol-5-yl)thio]acetyl]amino]-N,N-dimethylacetamide
CID 16383593
N-cyclopropyl-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide
CID 16389226
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 17392091
N-cyclopropyl-2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide
CID 24518533
4-Methylsulfanyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 24695587
Methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetate
CID 25647596
(2R)-4-methylsulfanyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 28183100
(2S)-4-methylsulfanyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
CID 28183102
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
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid
CID 43241521
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
CID 43242214

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid (CID 43465362) is 2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid?
The InChIKey is DDOLTTROFRVNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4S/c17-7(12-4-9(19)20)3-11-8(18)5-21-10-13-14-15-16(10)6-1-2-6/h6H,1-5H2,(H,11,18)(H,12,17)(H,19,20).
What are the key properties of 2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid has a molecular weight of 314.33 g/mol, XLogP of -1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).