5,5-bis(ethylamino)-2-methylpent-2-enoic acid

C10H20N2O2 — CID 91263561

IUPAC5,5-bis(ethylamino)-2-methylpent-2-enoic acid
SMILESCCNC(CC=C(C)C(=O)O)NCC
InChIInChI=1S/C10H20N2O2/c1-4-11-9(12-5-2)7-6-8(3)10(13)14/h6,9,11-12H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyHKTNSZRPFSPMRT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.95
Rot. Bonds7

About 5,5-bis(ethylamino)-2-methylpent-2-enoic acid

5,5-bis(ethylamino)-2-methylpent-2-enoic acid (PubChem CID 91263561) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5,5-bis(ethylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5,5-bis(ethylamino)-2-methylpent-2-enoic acid
PubChem CID91263561
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5,5-bis(ethylamino)-2-methylpent-2-enoic acid
SMILESCCNC(CC=C(C)C(=O)O)NCC
InChIInChI=1S/C10H20N2O2/c1-4-11-9(12-5-2)7-6-8(3)10(13)14/h6,9,11-12H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyHKTNSZRPFSPMRT-UHFFFAOYSA-N
XLogP0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-methyloct-2-enoic acid
CID 56988167
(E,5R)-5-hydroxy-2-methylhex-2-enoic acid
CID 55302737
5-chloro-5-hydroxy-2-methylpent-2-enoic acid
CID 57143076
(E)-6,6,6-trifluoro-2-methyl-5-(trifluoromethyl)hex-2-enoic acid
CID 87645960
(E)-5-methoxy-2-methylhept-2-enoic acid
CID 87143221
4-fluoro-2-methylbut-2-enoic acid
CID 57003998
CID 158703292
CID 158703292
5,6,6,6-tetrafluoro-2-methylhex-2-enoic acid
CID 173409624
(Z)-4-(3-ethylpentan-2-ylamino)-2-methylbut-2-enoic acid
CID 103250727
(E)-2-methyl-4-(methylamino)but-2-enoic acid
CID 87093602
(Z)-2-methyl-4-(3-methylbut-2-enylamino)but-2-enoic acid
CID 106190572
2-methyl-5-phenyl-5-(N-phenylanilino)pent-2-enoic acid
CID 69434874

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(ethylamino)-2-methylpent-2-enoic acid?
The IUPAC name of 5,5-bis(ethylamino)-2-methylpent-2-enoic acid (CID 91263561) is 5,5-bis(ethylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for 5,5-bis(ethylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for 5,5-bis(ethylamino)-2-methylpent-2-enoic acid is CCNC(CC=C(C)C(=O)O)NCC.
What is the InChIKey of 5,5-bis(ethylamino)-2-methylpent-2-enoic acid?
The InChIKey is HKTNSZRPFSPMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-11-9(12-5-2)7-6-8(3)10(13)14/h6,9,11-12H,4-5,7H2,1-3H3,(H,13,14).
What are the key properties of 5,5-bis(ethylamino)-2-methylpent-2-enoic acid?
5,5-bis(ethylamino)-2-methylpent-2-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(ethylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 91263561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).