ethoxycarbonyl 3-amino-3-cyclopropylpropanoate

C9H15NO4 — CID 174865263

IUPACethoxycarbonyl 3-amino-3-cyclopropylpropanoate
SMILESCCOC(=O)OC(=O)CC(N)C1CC1
InChIInChI=1S/C9H15NO4/c1-2-13-9(12)14-8(11)5-7(10)6-3-4-6/h6-7H,2-5,10H2,1H3
InChIKeyBFGLKOJHOUPKIX-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.81
Rot. Bonds4

About ethoxycarbonyl 3-amino-3-cyclopropylpropanoate

ethoxycarbonyl 3-amino-3-cyclopropylpropanoate (PubChem CID 174865263) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethoxycarbonyl 3-amino-3-cyclopropylpropanoate.

Molecular Properties

Compound Nameethoxycarbonyl 3-amino-3-cyclopropylpropanoate
PubChem CID174865263
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethoxycarbonyl 3-amino-3-cyclopropylpropanoate
SMILESCCOC(=O)OC(=O)CC(N)C1CC1
InChIInChI=1S/C9H15NO4/c1-2-13-9(12)14-8(11)5-7(10)6-3-4-6/h6-7H,2-5,10H2,1H3
InChIKeyBFGLKOJHOUPKIX-UHFFFAOYSA-N
XLogP0.81
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746
ethoxycarbonyl (3S)-3-aminopent-4-ynoate
CID 174301335
2-methylpentyl 3-amino-3-cyclopropylpropanoate
CID 103284230
1-cyclopropylethyl ethyl carbonate
CID 173016533
ethyl 3-cyclopropylbutanoate
CID 47078610
3-amino-1,3-dicyclopropylpropan-1-one
CID 116608894
tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
CID 46738164
2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate
CID 103178767
3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one
CID 116608822
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl 3-amino-3-cyclopropylpropanoate?
The IUPAC name of ethoxycarbonyl 3-amino-3-cyclopropylpropanoate (CID 174865263) is ethoxycarbonyl 3-amino-3-cyclopropylpropanoate.
What is the SMILES notation for ethoxycarbonyl 3-amino-3-cyclopropylpropanoate?
The canonical SMILES for ethoxycarbonyl 3-amino-3-cyclopropylpropanoate is CCOC(=O)OC(=O)CC(N)C1CC1.
What is the InChIKey of ethoxycarbonyl 3-amino-3-cyclopropylpropanoate?
The InChIKey is BFGLKOJHOUPKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-13-9(12)14-8(11)5-7(10)6-3-4-6/h6-7H,2-5,10H2,1H3.
What are the key properties of ethoxycarbonyl 3-amino-3-cyclopropylpropanoate?
ethoxycarbonyl 3-amino-3-cyclopropylpropanoate has a molecular weight of 201.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl 3-amino-3-cyclopropylpropanoate is sourced from PubChem (CID 174865263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).