methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate

C13H26N2O2 — CID 63028809

IUPACmethyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
SMILESCOC(=O)C(CCN(C)CC(C)C)NC1CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-15(3)8-7-12(13(16)17-4)14-11-5-6-11/h10-12,14H,5-9H2,1-4H3
InChIKeyKDJXXNXXLKSVOJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds8

About methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate

methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate (PubChem CID 63028809) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
PubChem CID63028809
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
SMILESCOC(=O)C(CCN(C)CC(C)C)NC1CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-15(3)8-7-12(13(16)17-4)14-11-5-6-11/h10-12,14H,5-9H2,1-4H3
InChIKeyKDJXXNXXLKSVOJ-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274429
methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate
CID 63055370
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]butanamide
CID 63055154
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 55143527
methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
CID 107401182
methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
CID 79724266
2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid
CID 63053617
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81073752

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate (CID 63028809) is methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate is COC(=O)C(CCN(C)CC(C)C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate?
The InChIKey is KDJXXNXXLKSVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)9-15(3)8-7-12(13(16)17-4)14-11-5-6-11/h10-12,14H,5-9H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate?
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate is sourced from PubChem (CID 63028809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).