methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate

C16H30N2O2 — CID 64521644

IUPACmethyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(C)(CCN(CC1CC1)C1CC1)NC(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)17-16(3,15(19)20-4)9-10-18(14-7-8-14)11-13-5-6-13/h12-14,17H,5-11H2,1-4H3
InChIKeyAQZTVIGLUUUBOF-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds9

About methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate

methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate (PubChem CID 64521644) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
PubChem CID64521644
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(C)(CCN(CC1CC1)C1CC1)NC(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)17-16(3,15(19)20-4)9-10-18(14-7-8-14)11-13-5-6-13/h12-14,17H,5-11H2,1-4H3
InChIKeyAQZTVIGLUUUBOF-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate with MolForge

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Related Compounds

methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate
CID 63632356
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 64522437
2-(cyclopropylamino)-4-[cyclopropyl(cyclopropylmethyl)amino]-2-methylbutanamide
CID 64520054
methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372
5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806317
methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
CID 78977393
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709610
methyl 2-methyl-6-(oxetan-3-yloxy)-2-(propan-2-ylamino)hexanoate
CID 102607425
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 64522812
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
methyl 3-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 63120139

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate (CID 64521644) is methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate is COC(=O)C(C)(CCN(CC1CC1)C1CC1)NC(C)C.
What is the InChIKey of methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate?
The InChIKey is AQZTVIGLUUUBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)17-16(3,15(19)20-4)9-10-18(14-7-8-14)11-13-5-6-13/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate?
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 64521644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).