2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid

C12H24N2O3 — CID 81062213

IUPAC2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
SMILESCC(C)OCCN(C)CC(NC1CC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)17-7-6-14(3)8-11(12(15)16)13-10-4-5-10/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyDDCPBFMSSXSITI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds9

About 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid

2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid (PubChem CID 81062213) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
PubChem CID81062213
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
SMILESCC(C)OCCN(C)CC(NC1CC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)17-7-6-14(3)8-11(12(15)16)13-10-4-5-10/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyDDCPBFMSSXSITI-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81073752
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 81061472
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid
CID 63699458
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81062944
1-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058826
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
1-cyclopropyl-2-[methyl(2-propan-2-yloxyethyl)amino]ethanone
CID 81057640
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
CID 63027237
4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
CID 81074467

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid (CID 81062213) is 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid is CC(C)OCCN(C)CC(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid?
The InChIKey is DDCPBFMSSXSITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)17-7-6-14(3)8-11(12(15)16)13-10-4-5-10/h9-11,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid?
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid is sourced from PubChem (CID 81062213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).