2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid

C14H28N2O3 — CID 60839298

IUPAC2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)CCC(C)NC(=O)CN(CC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)6-7-12(5)15-13(17)8-16(11(3)4)9-14(18)19/h10-12H,6-9H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyXQBYRPNIQVMFLB-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.72
Rot. Bonds9

About 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid

2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid (PubChem CID 60839298) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
PubChem CID60839298
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)CCC(C)NC(=O)CN(CC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)6-7-12(5)15-13(17)8-16(11(3)4)9-14(18)19/h10-12H,6-9H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyXQBYRPNIQVMFLB-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Analyze 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid with MolForge

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Related Compounds

3-methyl-5-(5-methylhexan-2-ylamino)-5-oxopentanoic acid
CID 62966251
2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 54900250
2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808
4-[[2-(heptan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834905
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835046
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485
3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 60986904
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(5-methylhexan-2-yl)acetamide
CID 115758566
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616
2-(5-methylhexan-2-ylamino)-2-oxoacetic acid
CID 63925332
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methylbutyl)amino]propanoic acid
CID 82327356

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid (CID 60839298) is 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid is CC(C)CCC(C)NC(=O)CN(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
The InChIKey is XQBYRPNIQVMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)6-7-12(5)15-13(17)8-16(11(3)4)9-14(18)19/h10-12H,6-9H2,1-5H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid?
2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60839298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).