2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine

C9H18N2O6 — CID 88838366

IUPAC2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
SMILESCN(C)C.O=C(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H9NO6.C3H9N/c8-4(9)1-7(2-5(10)11)3-6(12)13;1-4(2)3/h1-3H2,(H,8,9)(H,10,11)(H,12,13);1-3H3
InChIKeyPLQPSHKWKMWQKA-UHFFFAOYSA-N
MW250.25 g/mol
LogP-1.28
Rot. Bonds6

About 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine

2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine (PubChem CID 88838366) has the molecular formula C9H18N2O6 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
PubChem CID88838366
Molecular FormulaC9H18N2O6
Molecular Weight250.25 g/mol
Exact Mass250.12
IUPAC Name2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
SMILESCN(C)C.O=C(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H9NO6.C3H9N/c8-4(9)1-7(2-5(10)11)3-6(12)13;1-4(2)3/h1-3H2,(H,8,9)(H,10,11)(H,12,13);1-3H3
InChIKeyPLQPSHKWKMWQKA-UHFFFAOYSA-N
XLogP-1.28
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
CID 162336121
CID 162336121
azane;2-(dimethylamino)acetic acid
CID 172828475
azane;2-[bis(hydroxymethyl)amino]acetic acid
CID 87594237
azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid
CID 173034412
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403

Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine?
The IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine (CID 88838366) is 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine.
What is the SMILES notation for 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine?
The canonical SMILES for 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine is CN(C)C.O=C(O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine?
The InChIKey is PLQPSHKWKMWQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6.C3H9N/c8-4(9)1-7(2-5(10)11)3-6(12)13;1-4(2)3/h1-3H2,(H,8,9)(H,10,11)(H,12,13);1-3H3.
What are the key properties of 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine?
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine has a molecular weight of 250.25 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine is sourced from PubChem (CID 88838366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).