ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride

C9H17ClN2O3 — CID 119708251

IUPACethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
SMILESCCOC(=O)CCNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-14-7(12)3-6-11-8(13)9(10)4-5-9;/h2-6,10H2,1H3,(H,11,13);1H
InChIKeyRNOYXMNYMNULSW-UHFFFAOYSA-N
MW236.70 g/mol
LogP-0.03
Rot. Bonds5

About ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride

ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride (PubChem CID 119708251) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
PubChem CID119708251
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Nameethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
SMILESCCOC(=O)CCNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-14-7(12)3-6-11-8(13)9(10)4-5-9;/h2-6,10H2,1H3,(H,11,13);1H
InChIKeyRNOYXMNYMNULSW-UHFFFAOYSA-N
XLogP-0.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-amino-N-ethylcyclopropane-1-carboxamide;hydrochloride
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ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate
CID 78909794
1-amino-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301742
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
CID 119789223
ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
CID 118977664
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
1-amino-N-(2-aminoethyl)cyclopropane-1-carboxamide
CID 65466649
ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate
CID 64576191

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride?
The IUPAC name of ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride (CID 119708251) is ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride?
The canonical SMILES for ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride is CCOC(=O)CCNC(=O)C1(N)CC1.Cl.
What is the InChIKey of ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride?
The InChIKey is RNOYXMNYMNULSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c1-2-14-7(12)3-6-11-8(13)9(10)4-5-9;/h2-6,10H2,1H3,(H,11,13);1H.
What are the key properties of ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride?
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride is sourced from PubChem (CID 119708251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).