methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate

C10H16N2O3 — CID 103265522

IUPACmethyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate
SMILESCOC(=O)/C=C/NCCNC(=O)C1CC1
InChIInChI=1S/C10H16N2O3/c1-15-9(13)4-5-11-6-7-12-10(14)8-2-3-8/h4-5,8,11H,2-3,6-7H2,1H3,(H,12,14)/b5-4+
InChIKeyGZUIGQZZGABPHZ-SNAWJCMRSA-N
MW212.25 g/mol
LogP-0.21
Rot. Bonds6

About methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate

methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate (PubChem CID 103265522) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate
PubChem CID103265522
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate
SMILESCOC(=O)/C=C/NCCNC(=O)C1CC1
InChIInChI=1S/C10H16N2O3/c1-15-9(13)4-5-11-6-7-12-10(14)8-2-3-8/h4-5,8,11H,2-3,6-7H2,1H3,(H,12,14)/b5-4+
InChIKeyGZUIGQZZGABPHZ-SNAWJCMRSA-N
XLogP-0.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 115569712
methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate
CID 71117934
methyl (E)-3-[2-(1-methylpiperidin-4-yl)ethylamino]prop-2-enoate
CID 103266972
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
methyl (E)-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]prop-2-enoate
CID 103263221
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 115706423
N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113422916
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
4-[2-(cyclopropanecarbonylamino)ethylamino]-3-methylbut-2-enoic acid
CID 103265508
N-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110940168
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate (CID 103265522) is methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate is COC(=O)/C=C/NCCNC(=O)C1CC1.
What is the InChIKey of methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate?
The InChIKey is GZUIGQZZGABPHZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-15-9(13)4-5-11-6-7-12-10(14)8-2-3-8/h4-5,8,11H,2-3,6-7H2,1H3,(H,12,14)/b5-4+.
What are the key properties of methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate?
methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate has a molecular weight of 212.25 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate is sourced from PubChem (CID 103265522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).