ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate

C16H32N2O2 — CID 63864336

IUPACethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(C)(CCN(C)CC1CC1C)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-7-20-15(19)16(5,17-12(2)3)8-9-18(6)11-14-10-13(14)4/h12-14,17H,7-11H2,1-6H3
InChIKeyPVVYWDIOIYGYID-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.28
Rot. Bonds9

About ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate

ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate (PubChem CID 63864336) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate
PubChem CID63864336
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(C)(CCN(C)CC1CC1C)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-7-20-15(19)16(5,17-12(2)3)8-9-18(6)11-14-10-13(14)4/h12-14,17H,7-11H2,1-6H3
InChIKeyPVVYWDIOIYGYID-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate
CID 82731222
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 63682344
methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
CID 63865741
ethyl 2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 62723180
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanoate
CID 115942549
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
ethyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 64830819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate?
The IUPAC name of ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate (CID 63864336) is ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate?
The canonical SMILES for ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate is CCOC(=O)C(C)(CCN(C)CC1CC1C)NC(C)C.
What is the InChIKey of ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate?
The InChIKey is PVVYWDIOIYGYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-20-15(19)16(5,17-12(2)3)8-9-18(6)11-14-10-13(14)4/h12-14,17H,7-11H2,1-6H3.
What are the key properties of ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate?
ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate has a molecular weight of 284.44 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 63864336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).