2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid

C15H26N2O4 — CID 118000198

IUPAC2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
SMILESC=CC(=O)NC(C)(C)C(=O)NC(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-8-10(18)16-15(6,7)11(19)17-14(4,5)9-13(2,3)12(20)21/h8H,1,9H2,2-7H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyJXNYTLSTXFOLHQ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.46
Rot. Bonds7

About 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid

2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid (PubChem CID 118000198) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
PubChem CID118000198
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
SMILESC=CC(=O)NC(C)(C)C(=O)NC(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-8-10(18)16-15(6,7)11(19)17-14(4,5)9-13(2,3)12(20)21/h8H,1,9H2,2-7H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyJXNYTLSTXFOLHQ-UHFFFAOYSA-N
XLogP1.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid with MolForge

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Related Compounds

4-Methyl-4-(prop-2-enoylamino)pentanoic acid
CID 62042886
2-Ethyl-2,4-dimethyl-4-(prop-2-enoylamino)pentanoic acid
CID 129181177
2,2,4-Trimethyl-4-(prop-2-enoylamino)pentanoic acid
CID 130312877
2-Amino-4-methyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
CID 134461784
4-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
CID 135276824
Ethane;methyl 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoate
CID 144821759
Methyl 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoate
CID 144821760
2-Methyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
CID 167018489
4-Methyl-4-[[2-(prop-2-enylamino)acetyl]amino]pentanoic acid
CID 79280382
4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid
CID 114040071

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid?
The IUPAC name of 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid (CID 118000198) is 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid.
What is the SMILES notation for 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid?
The canonical SMILES for 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid is C=CC(=O)NC(C)(C)C(=O)NC(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid?
The InChIKey is JXNYTLSTXFOLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-8-10(18)16-15(6,7)11(19)17-14(4,5)9-13(2,3)12(20)21/h8H,1,9H2,2-7H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid?
2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid is sourced from PubChem (CID 118000198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).