2,3-bis(carboxymethylamino)propanoic acid

C7H12N2O6 — CID 10922022

IUPAC2,3-bis(carboxymethylamino)propanoic acid
SMILESO=C(O)CNCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O6/c10-5(11)2-8-1-4(7(14)15)9-3-6(12)13/h4,8-9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyKIIUTGUDCIGOOH-UHFFFAOYSA-N
MW220.18 g/mol
LogP-2.21
Rot. Bonds8

About 2,3-bis(carboxymethylamino)propanoic acid

2,3-bis(carboxymethylamino)propanoic acid (PubChem CID 10922022) has the molecular formula C7H12N2O6 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2,3-bis(carboxymethylamino)propanoic acid.

Molecular Properties

Compound Name2,3-bis(carboxymethylamino)propanoic acid
PubChem CID10922022
Molecular FormulaC7H12N2O6
Molecular Weight220.18 g/mol
Exact Mass220.07
IUPAC Name2,3-bis(carboxymethylamino)propanoic acid
SMILESO=C(O)CNCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O6/c10-5(11)2-8-1-4(7(14)15)9-3-6(12)13/h4,8-9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyKIIUTGUDCIGOOH-UHFFFAOYSA-N
XLogP-2.21
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-2.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[[1-carboxy-3-(carboxymethylamino)propyl]amino]-2,3-dihydroxybutanoic acid
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6-amino-2-(carboxymethylamino)hexanoic acid
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(2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid
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(2S)-2-(bromoamino)pentanedioic acid
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2-(carboxymethylamino)acetic acid;cobalt
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(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid
CID 129095324

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(carboxymethylamino)propanoic acid?
The IUPAC name of 2,3-bis(carboxymethylamino)propanoic acid (CID 10922022) is 2,3-bis(carboxymethylamino)propanoic acid.
What is the SMILES notation for 2,3-bis(carboxymethylamino)propanoic acid?
The canonical SMILES for 2,3-bis(carboxymethylamino)propanoic acid is O=C(O)CNCC(NCC(=O)O)C(=O)O.
What is the InChIKey of 2,3-bis(carboxymethylamino)propanoic acid?
The InChIKey is KIIUTGUDCIGOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O6/c10-5(11)2-8-1-4(7(14)15)9-3-6(12)13/h4,8-9H,1-3H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2,3-bis(carboxymethylamino)propanoic acid?
2,3-bis(carboxymethylamino)propanoic acid has a molecular weight of 220.18 g/mol, XLogP of -2.21, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(carboxymethylamino)propanoic acid is sourced from PubChem (CID 10922022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).