2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid

C20H38N2O4 — CID 159306009

IUPAC2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid
SMILESC=C(C)C(=O)OCCNCCCC.CC(=CCCNC(C)(C)C)C(=O)O
InChIInChI=1S/2C10H19NO2/c1-8(9(12)13)6-5-7-11-10(2,3)4;1-4-5-6-11-7-8-13-10(12)9(2)3/h6,11H,5,7H2,1-4H3,(H,12,13);11H,2,4-8H2,1,3H3
InChIKeyLBXSMDTVUOVMQV-UHFFFAOYSA-N
MW370.53 g/mol
LogP3.29
Rot. Bonds11

About 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid

2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid (PubChem CID 159306009) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid
PubChem CID159306009
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid
SMILESC=C(C)C(=O)OCCNCCCC.CC(=CCCNC(C)(C)C)C(=O)O
InChIInChI=1S/2C10H19NO2/c1-8(9(12)13)6-5-7-11-10(2,3)4;1-4-5-6-11-7-8-13-10(12)9(2)3/h6,11H,5,7H2,1-4H3,(H,12,13);11H,2,4-8H2,1,3H3
InChIKeyLBXSMDTVUOVMQV-UHFFFAOYSA-N
XLogP3.29
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

heptyl 2-methylprop-2-enoate;2-methyldec-2-enoic acid
CID 159623260
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626
2-(butylamino)ethyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid
CID 158944800
N-butylbutan-1-amine;ethyl 2-methylprop-2-enoate
CID 158486593
dodecyl 2-methylprop-2-enoate;2-methylhenicos-2-enoic acid;N-methylmethanamine;2-methyl-N-propylprop-2-enamide
CID 173412011
2-(butylamino)ethyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enamide;prop-2-enoic acid
CID 173164915
2-(2-methyltridecan-2-ylamino)ethyl 2-methylprop-2-enoate
CID 89314536
2-(2-methylprop-2-enoyloxy)ethyl 2-methylheptadec-2-enoate
CID 175232139
N-[2-[2-(tert-butylamino)ethoxy]ethyl]butan-1-amine
CID 149134271
2-(2-methylheptadecan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
CID 89314479
5-(tert-butylamino)-2-methylpent-2-enoic acid;2-methylbut-2-enoic acid;2-methylidenehexanoic acid;styrene
CID 69127599
5-ethoxy-2-methylpent-2-enoic acid;ethyl 2-methylprop-2-enoate
CID 159729985

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid?
The IUPAC name of 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid (CID 159306009) is 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid is C=C(C)C(=O)OCCNCCCC.CC(=CCCNC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid?
The InChIKey is LBXSMDTVUOVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19NO2/c1-8(9(12)13)6-5-7-11-10(2,3)4;1-4-5-6-11-7-8-13-10(12)9(2)3/h6,11H,5,7H2,1-4H3,(H,12,13);11H,2,4-8H2,1,3H3.
What are the key properties of 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid?
2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid has a molecular weight of 370.53 g/mol, XLogP of 3.29, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)ethyl 2-methylprop-2-enoate;5-(tert-butylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 159306009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).