2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid

C10H10N2O3S — CID 79286710

IUPAC2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)Nc1ccsc1
InChIInChI=1S/C10H10N2O3S/c1-2-4-12(6-9(13)14)10(15)11-8-3-5-16-7-8/h1,3,5,7H,4,6H2,(H,11,15)(H,13,14)
InChIKeyNUYVJIZLLLOONX-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.30
Rot. Bonds4

About 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid

2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid (PubChem CID 79286710) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid
PubChem CID79286710
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)Nc1ccsc1
InChIInChI=1S/C10H10N2O3S/c1-2-4-12(6-9(13)14)10(15)11-8-3-5-16-7-8/h1,3,5,7H,4,6H2,(H,11,15)(H,13,14)
InChIKeyNUYVJIZLLLOONX-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266672
2-[(4-carbamoylphenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79284203
2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79283330
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
2-[(3,4-dicyanophenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 107792081
2-[prop-2-ynyl(1,3-thiazol-2-ylcarbamoyl)amino]acetic acid
CID 79274575
2-[(2,6-difluorophenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79284756
2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66355663
2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79257193
2-[(3-chloro-4-cyanophenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79284505
2-[prop-2-ynyl(quinolin-6-ylcarbamoyl)amino]acetic acid
CID 79270434
2-[prop-2-ynyl-[(2,3,5,6-tetrafluorophenyl)carbamoyl]amino]acetic acid
CID 107642217

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid (CID 79286710) is 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid is C#CCN(CC(=O)O)C(=O)Nc1ccsc1.
What is the InChIKey of 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
The InChIKey is NUYVJIZLLLOONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-2-4-12(6-9(13)14)10(15)11-8-3-5-16-7-8/h1,3,5,7H,4,6H2,(H,11,15)(H,13,14).
What are the key properties of 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid has a molecular weight of 238.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79286710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).