methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate

C17H32N2O2 — CID 78977372

IUPACmethyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
SMILESCOC(=O)C(C)(CCN(CCC(C)C)C1CC1)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-13(2)9-11-19(15-7-8-15)12-10-17(3,16(20)21-4)18-14-5-6-14/h13-15,18H,5-12H2,1-4H3
InChIKeyKBFMFTWLFQGUQA-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds10

About methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate

methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate (PubChem CID 78977372) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
PubChem CID78977372
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
SMILESCOC(=O)C(C)(CCN(CCC(C)C)C1CC1)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-13(2)9-11-19(15-7-8-15)12-10-17(3,16(20)21-4)18-14-5-6-14/h13-15,18H,5-12H2,1-4H3
InChIKeyKBFMFTWLFQGUQA-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
CID 78977393
methyl 2-amino-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanoate
CID 78977512
ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
CID 78977417
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide
CID 78977398
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
CID 64521644
methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
CID 79184202
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
2-(cyclopropylamino)-4-[cyclopropyl(cyclopropylmethyl)amino]-2-methylbutanamide
CID 64520054
methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275078

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate (CID 78977372) is methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate is COC(=O)C(C)(CCN(CCC(C)C)C1CC1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate?
The InChIKey is KBFMFTWLFQGUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(2)9-11-19(15-7-8-15)12-10-17(3,16(20)21-4)18-14-5-6-14/h13-15,18H,5-12H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate?
methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate is sourced from PubChem (CID 78977372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).