ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate

C16H32N2O2 — CID 78977501

IUPACethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(CN(CCC(C)C)C1CC1)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-16(19)15(17-13(4)5)11-18(14-7-8-14)10-9-12(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyJMUVXAAIKRFYBO-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds10

About ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate

ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate (PubChem CID 78977501) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
PubChem CID78977501
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(CN(CCC(C)C)C1CC1)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-16(19)15(17-13(4)5)11-18(14-7-8-14)10-9-12(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyJMUVXAAIKRFYBO-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanoate
CID 78923978
4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63029791
ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165603
ethyl 4-[bis(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoate
CID 63055477
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
CID 63165810
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
CID 64521837
ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
CID 78977417
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate (CID 78977501) is ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate is CCOC(=O)C(CN(CCC(C)C)C1CC1)NC(C)C.
What is the InChIKey of ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate?
The InChIKey is JMUVXAAIKRFYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-20-16(19)15(17-13(4)5)11-18(14-7-8-14)10-9-12(2)3/h12-15,17H,6-11H2,1-5H3.
What are the key properties of ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate?
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 78977501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).