2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid

C9H16N2O3 — CID 62408052

IUPAC2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC1CC1NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5-4-6(5)10-8(14)11-9(2,3)7(12)13/h5-6H,4H2,1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyGRECICWSOZOSMJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.56
Rot. Bonds3

About 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid

2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid (PubChem CID 62408052) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
PubChem CID62408052
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC1CC1NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5-4-6(5)10-8(14)11-9(2,3)7(12)13/h5-6H,4H2,1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyGRECICWSOZOSMJ-UHFFFAOYSA-N
XLogP0.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid (CID 62408052) is 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid is CC1CC1NC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid?
The InChIKey is GRECICWSOZOSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5-4-6(5)10-8(14)11-9(2,3)7(12)13/h5-6H,4H2,1-3H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid?
2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 62408052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).