3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid

C12H21NO6 — CID 87908792

IUPAC3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(C)C(=O)O)CC(C)C(=O)O)C(=O)O
InChIInChI=1S/C12H21NO6/c1-7(10(14)15)4-13(5-8(2)11(16)17)6-9(3)12(18)19/h7-9H,4-6H2,1-3H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyRMOBEQQWIPXJMS-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.45
Rot. Bonds9

About 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid

3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid (PubChem CID 87908792) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid
PubChem CID87908792
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(C)C(=O)O)CC(C)C(=O)O)C(=O)O
InChIInChI=1S/C12H21NO6/c1-7(10(14)15)4-13(5-8(2)11(16)17)6-9(3)12(18)19/h7-9H,4-6H2,1-3H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyRMOBEQQWIPXJMS-UHFFFAOYSA-N
XLogP0.45
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid (CID 87908792) is 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid is CC(CN(CC(C)C(=O)O)CC(C)C(=O)O)C(=O)O.
What is the InChIKey of 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid?
The InChIKey is RMOBEQQWIPXJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-7(10(14)15)4-13(5-8(2)11(16)17)6-9(3)12(18)19/h7-9H,4-6H2,1-3H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid?
3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid has a molecular weight of 275.30 g/mol, XLogP of 0.45, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-carboxypropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 87908792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).