3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid

C11H20N2O3 — CID 122013118

IUPAC3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC[C@@H]1C[C@H]1NC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-8-5-9(8)12-11(16)13(3)6-7(2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,8-,9-/m1/s1
InChIKeyWUUZFPRAVGACEI-CFCGPWAMSA-N
MW228.29 g/mol
LogP1.15
Rot. Bonds5

About 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid

3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122013118) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122013118
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC[C@@H]1C[C@H]1NC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-8-5-9(8)12-11(16)13(3)6-7(2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,8-,9-/m1/s1
InChIKeyWUUZFPRAVGACEI-CFCGPWAMSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]propanoic acid
CID 62409602
3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007231
3-[(2-ethylsulfanylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122005466
3-[(2-benzylcyclopentyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122002977
2-methyl-3-[methyl-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 103968098
2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid
CID 62692283
2-methyl-3-[methyl-[(2-methyloxan-4-yl)carbamoyl]amino]propanoic acid
CID 114108655
2-methyl-3-[methyl-[(4-propan-2-ylcycloheptyl)carbamoyl]amino]propanoic acid
CID 122010343
2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid
CID 103064184
3-[[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122012885
2-methyl-3-[methyl(spiro[5.5]undecan-3-ylcarbamoyl)amino]propanoic acid
CID 122011341
3-[(3-butoxy-2,2-dimethylcyclobutyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122005126

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid (CID 122013118) is 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid is CC[C@@H]1C[C@H]1NC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is WUUZFPRAVGACEI-CFCGPWAMSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-8-5-9(8)12-11(16)13(3)6-7(2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,8-,9-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid?
3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122013118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).