2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid

C7H10N2O3 — CID 79273450

IUPAC2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)NC
InChIInChI=1S/C7H10N2O3/c1-3-4-9(5-6(10)11)7(12)8-2/h1H,4-5H2,2H3,(H,8,12)(H,10,11)
InChIKeyVTWZRRHRCFXRQY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.65
Rot. Bonds3

About 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid

2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid (PubChem CID 79273450) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid
PubChem CID79273450
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)NC
InChIInChI=1S/C7H10N2O3/c1-3-4-9(5-6(10)11)7(12)8-2/h1H,4-5H2,2H3,(H,8,12)(H,10,11)
InChIKeyVTWZRRHRCFXRQY-UHFFFAOYSA-N
XLogP-0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(methylamino)propylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79283759
2-[prop-2-ynyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]acetic acid
CID 79350944
2-[3-methylpentan-3-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 106330660
2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid
CID 79273523
3-methyl-1-prop-2-enyl-1-prop-2-ynylurea
CID 130581248
2-[2-(dimethylamino)propylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284807
2-[3-ethylpentan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79283560
2-[4-methylhexan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79284470
2-[prop-2-ynyl-[(2,3,5,6-tetrafluorophenyl)carbamoyl]amino]acetic acid
CID 107642217
2-[3-methylsulfonylpropylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79283531
2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79284020

Frequently Asked Questions

What is the IUPAC name of 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid?
The IUPAC name of 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid (CID 79273450) is 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid.
What is the SMILES notation for 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid?
The canonical SMILES for 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid is C#CCN(CC(=O)O)C(=O)NC.
What is the InChIKey of 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid?
The InChIKey is VTWZRRHRCFXRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-4-9(5-6(10)11)7(12)8-2/h1H,4-5H2,2H3,(H,8,12)(H,10,11).
What are the key properties of 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid?
2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid has a molecular weight of 170.17 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid is sourced from PubChem (CID 79273450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).