ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate

C15H30N2O2 — CID 63028837

IUPACethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
SMILESCCOC(=O)C(CCN(C)C(CC)CC)NC1CC1
InChIInChI=1S/C15H30N2O2/c1-5-13(6-2)17(4)11-10-14(15(18)19-7-3)16-12-8-9-12/h12-14,16H,5-11H2,1-4H3
InChIKeyPEKVKWAYEACMKM-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds10

About ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate

ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate (PubChem CID 63028837) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
PubChem CID63028837
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
SMILESCCOC(=O)C(CCN(C)C(CC)CC)NC1CC1
InChIInChI=1S/C15H30N2O2/c1-5-13(6-2)17(4)11-10-14(15(18)19-7-3)16-12-8-9-12/h12-14,16H,5-11H2,1-4H3
InChIKeyPEKVKWAYEACMKM-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63029828
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate
CID 63054168
ethyl 2-(cyclopropylamino)-4-(N,2-dimethylanilino)butanoate
CID 63053643
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
CID 63027237
ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698
ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66274848
2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63053045
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
CID 63039838
methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate
CID 63055370

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate (CID 63028837) is ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate is CCOC(=O)C(CCN(C)C(CC)CC)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate?
The InChIKey is PEKVKWAYEACMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-13(6-2)17(4)11-10-14(15(18)19-7-3)16-12-8-9-12/h12-14,16H,5-11H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate?
ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate is sourced from PubChem (CID 63028837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).