tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate

C13H27NO3 — CID 115590874

IUPACtert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
SMILESCCN(CCC(=O)OC(C)(C)C)C(C)COC
InChIInChI=1S/C13H27NO3/c1-7-14(11(2)10-16-6)9-8-12(15)17-13(3,4)5/h11H,7-10H2,1-6H3
InChIKeyRZCMXUNMTWFABH-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.08
Rot. Bonds7

About tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate

tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate (PubChem CID 115590874) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
PubChem CID115590874
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nametert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
SMILESCCN(CCC(=O)OC(C)(C)C)C(C)COC
InChIInChI=1S/C13H27NO3/c1-7-14(11(2)10-16-6)9-8-12(15)17-13(3,4)5/h11H,7-10H2,1-6H3
InChIKeyRZCMXUNMTWFABH-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
CID 115685980
tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate
CID 106707257
methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 62026047
tert-butyl 3-[bis(2-methylpropyl)amino]propanoate
CID 113226672
tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
CID 115590841
1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
CID 62619707
tert-butyl 4-(diethylamino)butanoate
CID 122660980
tert-butyl (3S)-3-(methoxymethyl)-4-methylpentanoate
CID 123336860
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248683
ethyl 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]butanoate
CID 63053382
tert-butyl 4-[(2-hydroxy-3,3-diphenylpropyl)-(1-methoxypropan-2-yl)amino]-4-oxobutanoate
CID 159065440

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate?
The IUPAC name of tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate (CID 115590874) is tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate is CCN(CCC(=O)OC(C)(C)C)C(C)COC.
What is the InChIKey of tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate?
The InChIKey is RZCMXUNMTWFABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-7-14(11(2)10-16-6)9-8-12(15)17-13(3,4)5/h11H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate?
tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate has a molecular weight of 245.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate is sourced from PubChem (CID 115590874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).