ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate

C10H18N2O4 — CID 59158994

IUPACethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate
SMILESCCOC(=O)NC(=O)/C(=C(/C)N)C(C)OC
InChIInChI=1S/C10H18N2O4/c1-5-16-10(14)12-9(13)8(6(2)11)7(3)15-4/h7H,5,11H2,1-4H3,(H,12,13,14)/b8-6-
InChIKeyDRYGIQOBVCKEBE-VURMDHGXSA-N
MW230.26 g/mol
LogP0.53
Rot. Bonds4

About ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate

ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate (PubChem CID 59158994) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate
PubChem CID59158994
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate
SMILESCCOC(=O)NC(=O)/C(=C(/C)N)C(C)OC
InChIInChI=1S/C10H18N2O4/c1-5-16-10(14)12-9(13)8(6(2)11)7(3)15-4/h7H,5,11H2,1-4H3,(H,12,13,14)/b8-6-
InChIKeyDRYGIQOBVCKEBE-VURMDHGXSA-N
XLogP0.53
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-2-(ethoxycarbonylcarbamoyl)but-2-enoate
CID 76557921
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
methyl 3-(ethoxycarbonylamino)-2-methylbut-2-enoate
CID 173031659
ethyl N-hydroxycarbamate
CID 11510
N-ethoxycarbonylcarbamothioate
CID 19787554
N-(1-methoxyethoxy)acetamide
CID 142626911
ethyl N-[2-(ethoxymethylidene)-3-oxobutanoyl]carbamate
CID 5243970
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
CID 88818502
CID 88818502
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate?
The IUPAC name of ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate (CID 59158994) is ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate.
What is the SMILES notation for ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate?
The canonical SMILES for ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate is CCOC(=O)NC(=O)/C(=C(/C)N)C(C)OC.
What is the InChIKey of ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate?
The InChIKey is DRYGIQOBVCKEBE-VURMDHGXSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-16-10(14)12-9(13)8(6(2)11)7(3)15-4/h7H,5,11H2,1-4H3,(H,12,13,14)/b8-6-.
What are the key properties of ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate?
ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate has a molecular weight of 230.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-3-amino-2-(1-methoxyethyl)but-2-enoyl]carbamate is sourced from PubChem (CID 59158994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).