2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid

C7H11NO3 — CID 104643565

IUPAC2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid
SMILESC#CCNCC(C)(O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-4-8-5-7(2,11)6(9)10/h1,8,11H,4-5H2,2H3,(H,9,10)
InChIKeyAWKKNOXNTZCJBG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.96
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid

2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid (PubChem CID 104643565) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid
PubChem CID104643565
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid
SMILESC#CCNCC(C)(O)C(=O)O
InChIInChI=1S/C7H11NO3/c1-3-4-8-5-7(2,11)6(9)10/h1,8,11H,4-5H2,2H3,(H,9,10)
InChIKeyAWKKNOXNTZCJBG-UHFFFAOYSA-N
XLogP-0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79271263
2-hydroxy-2-methylpent-4-ynoic acid
CID 55302741
2-hydroxy-2-methyl-3-(prop-2-ynoylamino)propanoic acid
CID 66173410
3-(but-3-ynylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175324
3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid
CID 104644350
2-hydroxy-2-methyl-3-(2-methylbut-3-yn-2-ylcarbamoylamino)propanoic acid
CID 66175118
2-hydroxy-2-methyl-3-(5,5,5-trifluoropentylamino)propanoic acid
CID 104644905
2-(prop-2-ynylamino)acetic acid
CID 88693817
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
3,3-dimethyl-1-(prop-2-ynylamino)butan-2-one
CID 116589515
2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 104644680
2-(prop-2-ynylamino)acetic acid;hydrochloride
CID 88630833

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid (CID 104643565) is 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid is C#CCNCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid?
The InChIKey is AWKKNOXNTZCJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4-8-5-7(2,11)6(9)10/h1,8,11H,4-5H2,2H3,(H,9,10).
What are the key properties of 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid?
2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid is sourced from PubChem (CID 104643565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).