2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid

C11H20N2O3 — CID 43619678

IUPAC2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid
SMILESC=CCNC(=O)CNC(C)(CCC)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-6-11(3,10(15)16)13-8-9(14)12-7-5-2/h5,13H,2,4,6-8H2,1,3H3,(H,12,14)(H,15,16)
InChIKeyDREOXWYKCLZLBZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.52
Rot. Bonds8

About 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid

2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid (PubChem CID 43619678) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid
PubChem CID43619678
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid
SMILESC=CCNC(=O)CNC(C)(CCC)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-6-11(3,10(15)16)13-8-9(14)12-7-5-2/h5,13H,2,4,6-8H2,1,3H3,(H,12,14)(H,15,16)
InChIKeyDREOXWYKCLZLBZ-UHFFFAOYSA-N
XLogP0.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glycyl-L-leucine
CID 92843
L-Alanyl-L-leucine
CID 96801
Valylleucine
CID 6993118
DL-Alanyl-DL-leucine
CID 259583
N-Glycyl-DL-leucine
CID 102468
Glycyl-D-leucine
CID 1715077
N-L-Valyl-L-leucine
CID 107487
(2S)-2-[[(2S)-2-aminobutanoyl]amino]-4-methylpentanoic acid
CID 49864542
D-Ala-Leu
CID 6992388
(S)-2-((S)-2-Amino-3-methylbutanamido)-4-methylpentanoic acid
CID 352039
N-acryloyl l-leucine
CID 22826147
dl-Alanyl-l-leucine
CID 23615548

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid (CID 43619678) is 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid is C=CCNC(=O)CNC(C)(CCC)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid?
The InChIKey is DREOXWYKCLZLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-6-11(3,10(15)16)13-8-9(14)12-7-5-2/h5,13H,2,4,6-8H2,1,3H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid?
2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 43619678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).