2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid

C9H15NO3 — CID 79274217

IUPAC2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(C)(C)O
InChIInChI=1S/C9H15NO3/c1-4-5-10(6-8(11)12)7-9(2,3)13/h1,13H,5-7H2,2-3H3,(H,11,12)
InChIKeyPIMLFWQUSVFZCV-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.22
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid

2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid (PubChem CID 79274217) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid
PubChem CID79274217
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(C)(C)O
InChIInChI=1S/C9H15NO3/c1-4-5-10(6-8(11)12)7-9(2,3)13/h1,13H,5-7H2,2-3H3,(H,11,12)
InChIKeyPIMLFWQUSVFZCV-UHFFFAOYSA-N
XLogP-0.22
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.22
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-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid
CID 63646957
3-[carboxymethyl(prop-2-ynyl)amino]propanoic acid
CID 82330647
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274369
2-[octyl(prop-2-ynyl)amino]acetic acid
CID 79283704
2-[prop-2-ynyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 79275243
2-[3-cyanopropyl(prop-2-ynyl)amino]acetic acid
CID 79283378
2-[cycloheptylmethyl(prop-2-ynyl)amino]acetic acid
CID 79287703
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79283995
2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid
CID 79284874
2-[pent-4-enyl(prop-2-ynyl)amino]acetic acid
CID 79274046
2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid
CID 79273523
2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid
CID 114494841

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid (CID 79274217) is 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid?
The InChIKey is PIMLFWQUSVFZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-10(6-8(11)12)7-9(2,3)13/h1,13H,5-7H2,2-3H3,(H,11,12).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid?
2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid has a molecular weight of 185.22 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79274217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).