ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate

C14H26N2O2 — CID 63907466

IUPACethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
SMILESCCOC(=O)C(N)(CN1CCCCCC1)C1CC1
InChIInChI=1S/C14H26N2O2/c1-2-18-13(17)14(15,12-7-8-12)11-16-9-5-3-4-6-10-16/h12H,2-11,15H2,1H3
InChIKeyJQYQKWOFUTUHHT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds5

About ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate

ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate (PubChem CID 63907466) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
PubChem CID63907466
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
SMILESCCOC(=O)C(N)(CN1CCCCCC1)C1CC1
InChIInChI=1S/C14H26N2O2/c1-2-18-13(17)14(15,12-7-8-12)11-16-9-5-3-4-6-10-16/h12H,2-11,15H2,1H3
InChIKeyJQYQKWOFUTUHHT-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(1,4-oxazepan-4-yl)propanoate
CID 63927435
methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282
ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147
ethyl 3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63907858
ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate
CID 63907673
ethyl 2-amino-2-cyclopropyl-3-(2,2-dimethylmorpholin-4-yl)propanoate
CID 63911116
ethyl 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-cyclopropylpropanoate
CID 102728050
ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 63906631
methyl 2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 63908493
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)propanoate
CID 65282048
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274
ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate
CID 63920634

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate?
The IUPAC name of ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate (CID 63907466) is ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate?
The canonical SMILES for ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate is CCOC(=O)C(N)(CN1CCCCCC1)C1CC1.
What is the InChIKey of ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate?
The InChIKey is JQYQKWOFUTUHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-18-13(17)14(15,12-7-8-12)11-16-9-5-3-4-6-10-16/h12H,2-11,15H2,1H3.
What are the key properties of ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate?
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate has a molecular weight of 254.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate is sourced from PubChem (CID 63907466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).