2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid

C10H17NO3 — CID 61021093

IUPAC2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid
SMILESCC/C=C(\C)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C10H17NO3/c1-4-6-8(3)10(14)11(5-2)7-9(12)13/h6H,4-5,7H2,1-3H3,(H,12,13)/b8-6+
InChIKeyKSPVSWRJBZQIMW-SOFGYWHQSA-N
MW199.25 g/mol
LogP1.28
Rot. Bonds5

About 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid

2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid (PubChem CID 61021093) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid
PubChem CID61021093
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid
SMILESCC/C=C(\C)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C10H17NO3/c1-4-6-8(3)10(14)11(5-2)7-9(12)13/h6H,4-5,7H2,1-3H3,(H,12,13)/b8-6+
InChIKeyKSPVSWRJBZQIMW-SOFGYWHQSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.28
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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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid (CID 61021093) is 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid is CC/C=C(\C)C(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid?
The InChIKey is KSPVSWRJBZQIMW-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-6-8(3)10(14)11(5-2)7-9(12)13/h6H,4-5,7H2,1-3H3,(H,12,13)/b8-6+.
What are the key properties of 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid?
2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid has a molecular weight of 199.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid is sourced from PubChem (CID 61021093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).