2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid

C11H19NO3 — CID 91175474

IUPAC2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid
SMILESC=CC(=O)N(C)CCCC(CC)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-9(11(14)15)7-6-8-12(3)10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,14,15)
InChIKeyFRZJDDLKBZWYDC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.52
Rot. Bonds7

About 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid

2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid (PubChem CID 91175474) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid
PubChem CID91175474
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid
SMILESC=CC(=O)N(C)CCCC(CC)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-9(11(14)15)7-6-8-12(3)10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,14,15)
InChIKeyFRZJDDLKBZWYDC-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 28180224
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CID 28180226
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CID 62217305
CID 62217305
CID 22078143
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CID 23034781
CID 23034781
CID 79615799
CID 79615799
CID 87770365
CID 87770365
CID 87771288
CID 87771288
CID 90796720
CID 90796720
CID 90985435
CID 90985435
CID 91144503
CID 91144503
CID 91274982
CID 91274982

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid?
The IUPAC name of 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid (CID 91175474) is 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid.
What is the SMILES notation for 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid?
The canonical SMILES for 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid is C=CC(=O)N(C)CCCC(CC)C(=O)O.
What is the InChIKey of 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid?
The InChIKey is FRZJDDLKBZWYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-9(11(14)15)7-6-8-12(3)10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,14,15).
What are the key properties of 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid?
2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl(prop-2-enoyl)amino]pentanoic acid is sourced from PubChem (CID 91175474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).