tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate

C14H25NO3 — CID 106707461

IUPACtert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate
SMILESCC1CC1CN(C)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10-8-11(10)9-15(5)12(16)6-7-13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyQOOMCVHPHFXLFC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds5

About tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate

tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate (PubChem CID 106707461) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate
PubChem CID106707461
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate
SMILESCC1CC1CN(C)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10-8-11(10)9-15(5)12(16)6-7-13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyQOOMCVHPHFXLFC-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015
tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate
CID 106707073
N-methyl-3-(methylamino)-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63866438
2-ethoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]acetamide
CID 64591720
3-amino-N,2,2-trimethyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63865875
tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate
CID 106707495
5-amino-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 82688399
tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106812542
tert-butyl 5-(dimethylamino)-4,5-dioxopentanoate
CID 158207133
tert-butyl 4-[(4-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 106707116
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260843

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate (CID 106707461) is tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate is CC1CC1CN(C)C(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate?
The InChIKey is QOOMCVHPHFXLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-8-11(10)9-15(5)12(16)6-7-13(17)18-14(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate?
tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate has a molecular weight of 255.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate is sourced from PubChem (CID 106707461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).