2-[carboxymethyl(propyl)amino]acetic acid

C7H13NO4 — CID 15117138

IUPAC2-[carboxymethyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H13NO4/c1-2-3-8(4-6(9)10)5-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyAQFJPHAVWFBQQY-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.13
Rot. Bonds6

About 2-[carboxymethyl(propyl)amino]acetic acid

2-[carboxymethyl(propyl)amino]acetic acid (PubChem CID 15117138) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[carboxymethyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(propyl)amino]acetic acid
PubChem CID15117138
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[carboxymethyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H13NO4/c1-2-3-8(4-6(9)10)5-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyAQFJPHAVWFBQQY-UHFFFAOYSA-N
XLogP-0.13
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Betaine chloride
CID 11545
N,N-Dimethylglycine
CID 673
Nitrilotriacetic Acid
CID 8758
N,N,N-trimethylglycinium
CID 248
N,N-Dimethylglycine hydrochloride
CID 75605
Propanediaminetetraacetic acid
CID 80296
Cobaltous nitrilotriacetate
CID 40619
Betaine monohydrate
CID 24884197
Cuprate(1-), (N,N-bis((carboxy-kappaO)methyl)glycinato(3-)-kappaN,kappaO)-, hydrogen (1:1), (T-4)-
CID 36938
Cadmium nitrilotriacetate
CID 39527
Zinc nitrilotriacetate
CID 40621
Beta-Alanine Diacetic Acid
CID 535795

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(propyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(propyl)amino]acetic acid (CID 15117138) is 2-[carboxymethyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(propyl)amino]acetic acid is CCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(propyl)amino]acetic acid?
The InChIKey is AQFJPHAVWFBQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-2-3-8(4-6(9)10)5-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[carboxymethyl(propyl)amino]acetic acid?
2-[carboxymethyl(propyl)amino]acetic acid has a molecular weight of 175.18 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(propyl)amino]acetic acid is sourced from PubChem (CID 15117138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).