3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid

C12H24N2O3 — CID 23588175

IUPAC3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid
SMILESCC(C)CN(CC(=O)NCCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)7-14(10(3)4)8-11(15)13-6-5-12(16)17/h9-10H,5-8H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyVSQXHSFLMPGWLD-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.94
Rot. Bonds8

About 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid

3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid (PubChem CID 23588175) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid
PubChem CID23588175
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid
SMILESCC(C)CN(CC(=O)NCCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)7-14(10(3)4)8-11(15)13-6-5-12(16)17/h9-10H,5-8H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyVSQXHSFLMPGWLD-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid (CID 23588175) is 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid is CC(C)CN(CC(=O)NCCC(=O)O)C(C)C.
What is the InChIKey of 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid?
The InChIKey is VSQXHSFLMPGWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)7-14(10(3)4)8-11(15)13-6-5-12(16)17/h9-10H,5-8H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid?
3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 23588175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).