2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid

C13H24N2O3 — CID 82743553

IUPAC2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCNC(CN(C)C1CCOC1C)(C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-9-11(6-7-18-9)15(3)8-13(14-2,12(16)17)10-4-5-10/h9-11,14H,4-8H2,1-3H3,(H,16,17)
InChIKeyMSXCFUCJZUGZLE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.55
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid

2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid (PubChem CID 82743553) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
PubChem CID82743553
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCNC(CN(C)C1CCOC1C)(C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-9-11(6-7-18-9)15(3)8-13(14-2,12(16)17)10-4-5-10/h9-11,14H,4-8H2,1-3H3,(H,16,17)
InChIKeyMSXCFUCJZUGZLE-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743702
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82744556
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 63910926
2-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-(methylamino)propanoic acid
CID 63910335
2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid
CID 82744273
2-cyclopropyl-3-(N,2-dimethylanilino)-2-(methylamino)propanoic acid
CID 63919631
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331
2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile
CID 82748972
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689
4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 82744106
2,2-difluoro-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 165467125

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid (CID 82743553) is 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid is CNC(CN(C)C1CCOC1C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The InChIKey is MSXCFUCJZUGZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-11(6-7-18-9)15(3)8-13(14-2,12(16)17)10-4-5-10/h9-11,14H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 82743553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).