2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid

C8H15NO3 — CID 104644381

IUPAC2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
SMILESCC1CC1NCC(C)(O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5-3-6(5)9-4-8(2,12)7(10)11/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyCNPRAIFTQCTRMF-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.18
Rot. Bonds4

About 2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid (PubChem CID 104644381) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
PubChem CID104644381
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
SMILESCC1CC1NCC(C)(O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5-3-6(5)9-4-8(2,12)7(10)11/h5-6,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyCNPRAIFTQCTRMF-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104644528
2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 66172151
2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
CID 104644781
2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid
CID 114629488
3-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175117
2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoic acid
CID 113436549
3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104644664
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
CID 115428743
3-[(2-methylcyclopropyl)amino]propanoic acid
CID 62398720
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 106670648
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid (CID 104644381) is 2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid is CC1CC1NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid?
The InChIKey is CNPRAIFTQCTRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-3-6(5)9-4-8(2,12)7(10)11/h5-6,9,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid has a molecular weight of 173.21 g/mol, XLogP of -0.18, 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-[(2-methylcyclopropyl)amino]propanoic acid is sourced from PubChem (CID 104644381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).