2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid

C10H19NO2 — CID 61341230

IUPAC2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
SMILESC=CCNC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-5-6-11-10(4,9(12)13)7-8(2)3/h5,8,11H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyRZIWZOFQLXMCGI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.65
Rot. Bonds6

About 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid

2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid (PubChem CID 61341230) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
PubChem CID61341230
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
SMILESC=CCNC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-5-6-11-10(4,9(12)13)7-8(2)3/h5,8,11H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyRZIWZOFQLXMCGI-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
CID 114989242
2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 114999552
2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 115000691
2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid
CID 68854962
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid (CID 61341230) is 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid is C=CCNC(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid?
The InChIKey is RZIWZOFQLXMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-11-10(4,9(12)13)7-8(2)3/h5,8,11H,1,6-7H2,2-4H3,(H,12,13).
What are the key properties of 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid?
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid is sourced from PubChem (CID 61341230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).