ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate

C15H29NO2 — CID 81391748

IUPACethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
SMILESCCOC(=O)CC(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-4-18-15(17)11-12(2)16-13(3)14-9-7-5-6-8-10-14/h12-14,16H,4-11H2,1-3H3/t12?,13-/m1/s1
InChIKeyYJTLHEALVLQGCS-ZGTCLIOFSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds6

About ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate

ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate (PubChem CID 81391748) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
PubChem CID81391748
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
SMILESCCOC(=O)CC(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-4-18-15(17)11-12(2)16-13(3)14-9-7-5-6-8-10-14/h12-14,16H,4-11H2,1-3H3/t12?,13-/m1/s1
InChIKeyYJTLHEALVLQGCS-ZGTCLIOFSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid
CID 81385050
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine
CID 104866870
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251
N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine
CID 104584284
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
CID 70097268

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate?
The IUPAC name of ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate (CID 81391748) is ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate.
What is the SMILES notation for ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate?
The canonical SMILES for ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate is CCOC(=O)CC(C)N[C@H](C)C1CCCCCC1.
What is the InChIKey of ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate?
The InChIKey is YJTLHEALVLQGCS-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-18-15(17)11-12(2)16-13(3)14-9-7-5-6-8-10-14/h12-14,16H,4-11H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate?
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate is sourced from PubChem (CID 81391748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).