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

C9H15NO4 — CID 66172151

IUPAC2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1CC1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H15NO4/c1-5-3-6(5)7(11)10-4-9(2,14)8(12)13/h5-6,14H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyDBBJXYVMYWMQJU-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.41
Rot. Bonds4

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

2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 66172151) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID66172151
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1CC1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H15NO4/c1-5-3-6(5)7(11)10-4-9(2,14)8(12)13/h5-6,14H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyDBBJXYVMYWMQJU-UHFFFAOYSA-N
XLogP-0.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-methylcyclopropane-1-carboxamide
CID 81483791
2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79385228
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
3-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175768
2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
CID 104644381
N-(4-chloro-2,2-dimethylbutyl)-2-methylcyclopropane-1-carboxamide
CID 106142987
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
3-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175117
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901235
2-hydroxy-2-methyl-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 66177040
3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 102628994

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid (CID 66172151) is 2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid is CC1CC1C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is DBBJXYVMYWMQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5-3-6(5)7(11)10-4-9(2,14)8(12)13/h5-6,14H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 201.22 g/mol, XLogP of -0.41, 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-methylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 66172151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).