2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid

C9H15NO5 — CID 82329086

IUPAC2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C9H15NO5/c1-6(11)5-10(4-3-8(12)13)7(2)9(14)15/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyFTTFQKIZFSXZPG-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.17
Rot. Bonds7

About 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid

2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid (PubChem CID 82329086) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
PubChem CID82329086
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C9H15NO5/c1-6(11)5-10(4-3-8(12)13)7(2)9(14)15/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyFTTFQKIZFSXZPG-UHFFFAOYSA-N
XLogP-0.17
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid
CID 82329130
3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid
CID 82329128
2-[2-[2-[1-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 19033802
3-[ethyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329294
3-[2-carboxyethyl(3-oxobutan-2-yl)amino]-2-methylpropanoic acid
CID 82329391
3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
CID 82329288
3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329289
2-[methyl(2-oxopropyl)amino]propanoic acid
CID 59576342
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
CID 59404270
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid?
The IUPAC name of 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid (CID 82329086) is 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid?
The canonical SMILES for 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid is CC(=O)CN(CCC(=O)O)C(C)C(=O)O.
What is the InChIKey of 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid?
The InChIKey is FTTFQKIZFSXZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-6(11)5-10(4-3-8(12)13)7(2)9(14)15/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid?
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid has a molecular weight of 217.22 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid is sourced from PubChem (CID 82329086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).