tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate

C14H25NO3 — CID 114119970

IUPACtert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC1CCOC1C1CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-12(16)6-8-15-11-7-9-17-13(11)10-4-5-10/h10-11,13,15H,4-9H2,1-3H3
InChIKeyLGGSSTZXISKOQN-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.88
Rot. Bonds5

About tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate

tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate (PubChem CID 114119970) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate
PubChem CID114119970
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC1CCOC1C1CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-12(16)6-8-15-11-7-9-17-13(11)10-4-5-10/h10-11,13,15H,4-9H2,1-3H3
InChIKeyLGGSSTZXISKOQN-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-Cyclopropyloxolan-3-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 105847662
Methyl 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoate
CID 79916825
Ethyl 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanoate
CID 79927654
2-cyclopropyl-N-(3-methoxy-2-methylpropyl)oxolan-3-amine
CID 102672741
2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine
CID 102672745
Methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate
CID 103242459
2-cyclopropyl-N-(3-methylbutyl)oxolan-3-amine
CID 103578739
2-cyclopropyl-N-heptyloxolan-3-amine
CID 103580652
Ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate
CID 103580661
3-[(2-cyclopropyloxolan-3-yl)amino]-N-methylpropanamide
CID 103580668
Methyl 4-[(2-cyclopropyloxolan-3-yl)amino]butanoate
CID 103580669
3-[(2-cyclopropyloxolan-3-yl)amino]-N,N-dimethylpropanamide
CID 103580672

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate (CID 114119970) is tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate is CC(C)(C)OC(=O)CCNC1CCOC1C1CC1.
What is the InChIKey of tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate?
The InChIKey is LGGSSTZXISKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)18-12(16)6-8-15-11-7-9-17-13(11)10-4-5-10/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate?
tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate has a molecular weight of 255.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate is sourced from PubChem (CID 114119970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).