2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid

C14H28N2O3 — CID 54900250

IUPAC2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C14H28N2O3/c1-5-16(10-14(18)19)9-13(17)15-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyITQGIUNWIXKRKG-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.72
Rot. Bonds10

About 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid

2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 54900250) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
PubChem CID54900250
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C14H28N2O3/c1-5-16(10-14(18)19)9-13(17)15-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyITQGIUNWIXKRKG-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62852413
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616
3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 60986904
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 112548702
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methylbutyl)amino]propanoic acid
CID 82327356
N-(6-methylheptan-2-yl)butanamide
CID 60644759
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839298
methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60670456

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid (CID 54900250) is 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid is CCN(CC(=O)O)CC(=O)NC(C)CCCC(C)C.
What is the InChIKey of 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is ITQGIUNWIXKRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-16(10-14(18)19)9-13(17)15-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid?
2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 54900250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).