[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate

C10H17NO4 — CID 145309283

IUPAC[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate
SMILESC=CC(=O)ON(CC)C(=O)OCC(C)C
InChIInChI=1S/C10H17NO4/c1-5-9(12)15-11(6-2)10(13)14-7-8(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyDQVNIBLKBCYJDN-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.75
Rot. Bonds4

About [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate

[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate (PubChem CID 145309283) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate.

Molecular Properties

Compound Name[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate
PubChem CID145309283
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate
SMILESC=CC(=O)ON(CC)C(=O)OCC(C)C
InChIInChI=1S/C10H17NO4/c1-5-9(12)15-11(6-2)10(13)14-7-8(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyDQVNIBLKBCYJDN-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethyl(methoxycarbonyl)amino] prop-2-enoate
CID 174452943
[ethyl(methyl)amino] prop-2-enoate
CID 154170734
ethyl(2-methylpropoxycarbonyloxy)carbamothioic S-acid
CID 150825264
3-methyl-2-methylidenepentanoic acid;2-methylpropyl prop-2-enoate
CID 161178594
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
[ethyl(pentan-3-yl)amino] prop-2-enoate
CID 87581943
2-methylpropylsilyl prop-2-enoate
CID 123153275
2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
CID 79263335
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082
2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
CID 154945547
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
butyl prop-2-enoate;3-methylbutyl prop-2-enoate;2-methylpropyl prop-2-enoate;pentyl prop-2-enoate
CID 174806895

Frequently Asked Questions

What is the IUPAC name of [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate?
The IUPAC name of [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate (CID 145309283) is [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate.
What is the SMILES notation for [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate?
The canonical SMILES for [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate is C=CC(=O)ON(CC)C(=O)OCC(C)C.
What is the InChIKey of [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate?
The InChIKey is DQVNIBLKBCYJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-9(12)15-11(6-2)10(13)14-7-8(3)4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate?
[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate is sourced from PubChem (CID 145309283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).