2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid

C10H19NO4 — CID 82328618

IUPAC2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-4-8(10(14)15)11(7(2)3)6-5-9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyFVFIQDKTQWHADO-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.03
Rot. Bonds7

About 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid

2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid (PubChem CID 82328618) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid
PubChem CID82328618
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-4-8(10(14)15)11(7(2)3)6-5-9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyFVFIQDKTQWHADO-UHFFFAOYSA-N
XLogP1.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
2-[2-carboxyethyl-[3-(dimethylamino)propyl]amino]butanoic acid
CID 82330401
2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid
CID 82323973
2-[2-carboxyethyl(3-methylbut-2-enoyl)amino]butanoic acid
CID 82326197
3-amino-2-[propan-2-yl(propyl)amino]propanoic acid
CID 64695014
2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid
CID 103189748
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
2-[bis(carboxymethyl)amino]butanoic acid
CID 22935674
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
3-[(1-amino-1-oxobutan-2-yl)-ethylamino]propanoic acid
CID 62900252
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 54994879

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid (CID 82328618) is 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid is CCC(C(=O)O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid?
The InChIKey is FVFIQDKTQWHADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-8(10(14)15)11(7(2)3)6-5-9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid?
2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 82328618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).