2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid

C10H18N2O5 — CID 63644616

IUPAC2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
SMILESCCC(C)NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-7(2)11-8(13)4-12(5-9(14)15)6-10(16)17/h7H,3-6H2,1-2H3,(H,11,13)(H,14,15)(H,16,17)
InChIKeyYMDAHAIGZJUZOV-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.63
Rot. Bonds8

About 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid

2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid (PubChem CID 63644616) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
PubChem CID63644616
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
SMILESCCC(C)NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-7(2)11-8(13)4-12(5-9(14)15)6-10(16)17/h7H,3-6H2,1-2H3,(H,11,13)(H,14,15)(H,16,17)
InChIKeyYMDAHAIGZJUZOV-UHFFFAOYSA-N
XLogP-0.63
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(butan-2-ylamino)-2-oxoethyl]-butylamino]propanoic acid
CID 82327333
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methylbutyl)amino]propanoic acid
CID 82327356
2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 54900250
3-[[2-(butan-2-ylamino)-2-oxoethyl]-hexylamino]propanoic acid
CID 82327338
N-butan-2-yl-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691813
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methoxypropyl)amino]propanoic acid
CID 82327325
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821960
2-(2-amino-N-[2-(butan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 63118776
2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 107426068
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82327343

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid (CID 63644616) is 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid is CCC(C)NC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is YMDAHAIGZJUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-3-7(2)11-8(13)4-12(5-9(14)15)6-10(16)17/h7H,3-6H2,1-2H3,(H,11,13)(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid?
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 246.26 g/mol, XLogP of -0.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63644616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).