2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid

C8H11N5O3S — CID 114913453

IUPAC2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Nc1nnns1
InChIInChI=1S/C8H11N5O3S/c14-6(15)4-13(3-5-1-2-5)8(16)9-7-10-11-12-17-7/h5H,1-4H2,(H,14,15)(H,9,10,12,16)
InChIKeyKQIHOLIDRVMABM-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.26
Rot. Bonds5

About 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid

2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid (PubChem CID 114913453) has the molecular formula C8H11N5O3S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid
PubChem CID114913453
Molecular FormulaC8H11N5O3S
Molecular Weight257.27 g/mol
Exact Mass257.06
IUPAC Name2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Nc1nnns1
InChIInChI=1S/C8H11N5O3S/c14-6(15)4-13(3-5-1-2-5)8(16)9-7-10-11-12-17-7/h5H,1-4H2,(H,14,15)(H,9,10,12,16)
InChIKeyKQIHOLIDRVMABM-UHFFFAOYSA-N
XLogP0.26
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[ethyl(thiatriazol-5-ylcarbamoyl)amino]propanoic acid
CID 114913370
2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid
CID 43655872
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid
CID 65214654
2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586717
2-[8-(thiatriazol-5-ylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114913490
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
2-[(4-bromo-2,3-dichlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 107792005
2-[1,3-benzodioxol-5-ylcarbamoyl(cyclopropylmethyl)amino]acetic acid
CID 43655636
2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
2-[cyclopropylmethyl-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]amino]acetic acid
CID 83113643
2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 54959971

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid (CID 114913453) is 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)Nc1nnns1.
What is the InChIKey of 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid?
The InChIKey is KQIHOLIDRVMABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3S/c14-6(15)4-13(3-5-1-2-5)8(16)9-7-10-11-12-17-7/h5H,1-4H2,(H,14,15)(H,9,10,12,16).
What are the key properties of 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid has a molecular weight of 257.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 114913453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).