tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate

C14H25NO2 — CID 115609763

IUPACtert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCN(CC1CC1)C1CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)17-13(16)8-9-15(12-6-7-12)10-11-4-5-11/h11-12H,4-10H2,1-3H3
InChIKeyRHWBBIGOSOUUPI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds6

About tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate

tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate (PubChem CID 115609763) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
PubChem CID115609763
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCN(CC1CC1)C1CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)17-13(16)8-9-15(12-6-7-12)10-11-4-5-11/h11-12H,4-10H2,1-3H3
InChIKeyRHWBBIGOSOUUPI-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate
CID 106707495
tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
CID 115590859
5-[cyclopropyl(cyclopropylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254953
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
tert-butyl 2-[cyclopentyl(ethyl)amino]acetate
CID 137320187
tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate
CID 115884818
1-[cyclopropyl(cyclopropylmethyl)amino]propan-2-one
CID 64522765
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
CID 64521644
1-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropan-2-ol
CID 64520024
tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
CID 106707401
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764
2-(cyclopropylamino)-4-[cyclopropyl(cyclopropylmethyl)amino]-2-methylbutanamide
CID 64520054

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate (CID 115609763) is tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate is CC(C)(C)OC(=O)CCN(CC1CC1)C1CC1.
What is the InChIKey of tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate?
The InChIKey is RHWBBIGOSOUUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)17-13(16)8-9-15(12-6-7-12)10-11-4-5-11/h11-12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate?
tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate has a molecular weight of 239.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate is sourced from PubChem (CID 115609763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).