2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid

C13H26N2O3 — CID 64582308

IUPAC2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid
SMILESCC(=O)NC(CN(CC(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)6-15(7-10(3)4)8-12(13(17)18)14-11(5)16/h9-10,12H,6-8H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyRNCRGWBLKRXGMG-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.19
Rot. Bonds8

About 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid

2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid (PubChem CID 64582308) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid
PubChem CID64582308
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid
SMILESCC(=O)NC(CN(CC(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)6-15(7-10(3)4)8-12(13(17)18)14-11(5)16/h9-10,12H,6-8H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyRNCRGWBLKRXGMG-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
2-acetamido-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
CID 64582521
2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid
CID 64583126
2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoic acid
CID 64580938
2-acetamidobutanoic acid;ethane;methanol
CID 143023346
2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid
CID 64582514
2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid
CID 64582721
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
2-acetamido-3-[methyl-[2-(methylamino)ethyl]amino]propanoic acid
CID 64583318
2-acetamido-3-(4-methylpentoxy)propanoic acid
CID 65443172

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid (CID 64582308) is 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid is CC(=O)NC(CN(CC(C)C)CC(C)C)C(=O)O.
What is the InChIKey of 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid?
The InChIKey is RNCRGWBLKRXGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)6-15(7-10(3)4)8-12(13(17)18)14-11(5)16/h9-10,12H,6-8H2,1-5H3,(H,14,16)(H,17,18).
What are the key properties of 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid?
2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 64582308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).