2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid

C13H23NO3 — CID 75496206

IUPAC2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid
SMILESCC/C=C(/C)C(=O)NCC(CC)(CC)C(=O)O
InChIInChI=1S/C13H23NO3/c1-5-8-10(4)11(15)14-9-13(6-2,7-3)12(16)17/h8H,5-7,9H2,1-4H3,(H,14,15)(H,16,17)/b10-8-
InChIKeyHWVPFVQGWDUDGI-NTMALXAHSA-N
MW241.33 g/mol
LogP2.35
Rot. Bonds7

About 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid

2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid (PubChem CID 75496206) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid
PubChem CID75496206
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid
SMILESCC/C=C(/C)C(=O)NCC(CC)(CC)C(=O)O
InChIInChI=1S/C13H23NO3/c1-5-8-10(4)11(15)14-9-13(6-2,7-3)12(16)17/h8H,5-7,9H2,1-4H3,(H,14,15)(H,16,17)/b10-8-
InChIKeyHWVPFVQGWDUDGI-NTMALXAHSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-2-ethylhex-2-enoyl]amino]propanoic acid
CID 88762238
3-(2-Ethylbut-2-enoylamino)-2,2-dimethylpropanoic acid
CID 123941175
4-[[(E)-2-methylpent-2-enoyl]amino]butanoic acid
CID 24705645
3-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
CID 24706514
3-[[(E)-2-methylpent-2-enoyl]amino]butanoic acid
CID 43361047
3-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]propanoic acid
CID 75383476
2-Ethyl-2-[(3-methylbut-2-enoylamino)methyl]butanoic acid
CID 75496199
2-Methyl-3-(2-methylpent-2-enoylamino)propanoic acid
CID 76953504
3-Ethyl-1-(2-methylpent-2-enoyl)pyrrolidine-3-carboxylic acid
CID 76986317
2-[(2-Methylpent-2-enoylamino)methyl]butanoic acid
CID 77061152
2-[(2-Methylpent-2-enoylamino)methyl]pentanoic acid
CID 77061204
3-Methyl-2-[(2-methylpent-2-enoylamino)methyl]butanoic acid
CID 77061331

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid (CID 75496206) is 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid is CC/C=C(/C)C(=O)NCC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid?
The InChIKey is HWVPFVQGWDUDGI-NTMALXAHSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-8-10(4)11(15)14-9-13(6-2,7-3)12(16)17/h8H,5-7,9H2,1-4H3,(H,14,15)(H,16,17)/b10-8-.
What are the key properties of 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid?
2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 75496206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).