2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid

C11H20N2O3 — CID 63859352

IUPAC2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid
SMILESCC1CC1CN(C)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-9(7)6-12(3)11(16)13(4)8(2)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)
InChIKeyDEBGSKRSYVFOCP-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.10
Rot. Bonds4

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

2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid (PubChem CID 63859352) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid
PubChem CID63859352
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid
SMILESCC1CC1CN(C)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-9(7)6-12(3)11(16)13(4)8(2)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)
InChIKeyDEBGSKRSYVFOCP-UHFFFAOYSA-N
XLogP1.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638309
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 55257505
3-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]propanoic acid
CID 63860398
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63864984
N-methyl-N-[(2-methylcyclopropyl)methyl]acetamide
CID 64592009
2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55096980
3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 63859003
2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 79257101
3,3-dimethyl-2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]butanoic acid
CID 116537193
2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 63859529
2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 55257507

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid (CID 63859352) is 2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid is CC1CC1CN(C)C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid?
The InChIKey is DEBGSKRSYVFOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-5-9(7)6-12(3)11(16)13(4)8(2)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid?
2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 63859352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).