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

C11H19NO5 — CID 82329130

IUPAC2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CCC(=O)O)CC(C)=O
InChIInChI=1S/C11H19NO5/c1-3-4-9(11(16)17)12(7-8(2)13)6-5-10(14)15/h9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKQWKQYKKWWTZEF-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.61
Rot. Bonds9

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

2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid (PubChem CID 82329130) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid
PubChem CID82329130
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CCC(=O)O)CC(C)=O
InChIInChI=1S/C11H19NO5/c1-3-4-9(11(16)17)12(7-8(2)13)6-5-10(14)15/h9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKQWKQYKKWWTZEF-UHFFFAOYSA-N
XLogP0.61
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-carboxyethyl(hexyl)amino]pentanoic acid
CID 82328380
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid
CID 83041188
3-[1-hydroxybutan-2-yl(2-oxopropyl)amino]propanoic acid
CID 82329128
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
2-[2-carboxyethyl(methyl)amino]hexanoic acid
CID 82328730
2-[benzoyl(2-carboxyethyl)amino]pentanoic acid
CID 82324538
copper 2-[bis(carboxymethyl)amino]pentanedioic acid
CID 91664372
3-[methyl(2-propylpentanoyl)amino]propanoic acid
CID 82985471

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid?
The IUPAC name of 2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid (CID 82329130) is 2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid?
The canonical SMILES for 2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid is CCCC(C(=O)O)N(CCC(=O)O)CC(C)=O.
What is the InChIKey of 2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid?
The InChIKey is KQWKQYKKWWTZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-4-9(11(16)17)12(7-8(2)13)6-5-10(14)15/h9H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid?
2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.61, 9 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]pentanoic acid is sourced from PubChem (CID 82329130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).