ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate

C10H18N2O3 — CID 119789223

IUPACethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(=O)C1(N)CC1
InChIInChI=1S/C10H18N2O3/c1-3-15-8(13)7(2)6-12-9(14)10(11)4-5-10/h7H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyWMJIHHAKRMLBPO-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.21
Rot. Bonds5

About ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate

ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate (PubChem CID 119789223) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
PubChem CID119789223
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(=O)C1(N)CC1
InChIInChI=1S/C10H18N2O3/c1-3-15-8(13)7(2)6-12-9(14)10(11)4-5-10/h7H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyWMJIHHAKRMLBPO-UHFFFAOYSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
ethyl (2S)-3-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylpropanoate
CID 86326306
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
CID 119708251
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
CID 119789263
1-amino-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 134692608
ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate
CID 97334966
ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119326846
1-amino-N-[2-(4-methylphenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795744

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate (CID 119789223) is ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate is CCOC(=O)C(C)CNC(=O)C1(N)CC1.
What is the InChIKey of ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate?
The InChIKey is WMJIHHAKRMLBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-15-8(13)7(2)6-12-9(14)10(11)4-5-10/h7H,3-6,11H2,1-2H3,(H,12,14).
What are the key properties of ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate?
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate has a molecular weight of 214.26 g/mol, XLogP of -0.21, 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]-2-methylpropanoate is sourced from PubChem (CID 119789223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).