2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid

C14H28N2O4 — CID 107251605

IUPAC2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid
SMILESCCC(CC)(CNC(C)C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-7-14(8-2,9-15-10(3)11(17)18)16-12(19)20-13(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,19)(H,17,18)
InChIKeyTXFKMCATKIFDRG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.13
Rot. Bonds7

About 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid

2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid (PubChem CID 107251605) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid
PubChem CID107251605
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid
SMILESCCC(CC)(CNC(C)C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-7-14(8-2,9-15-10(3)11(17)18)16-12(19)20-13(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,19)(H,17,18)
InChIKeyTXFKMCATKIFDRG-UHFFFAOYSA-N
XLogP2.13
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid with MolForge

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Related Compounds

tert-butyl N-(3-ethyl-1-hydroxypentan-3-yl)carbamate
CID 131125544
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
CID 103714780
tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate
CID 103787700
tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate
CID 104859858
tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate
CID 103787703
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propanoic acid
CID 107247028
tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
CID 107251589
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
tert-butyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107865292
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid?
The IUPAC name of 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid (CID 107251605) is 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid is CCC(CC)(CNC(C)C(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid?
The InChIKey is TXFKMCATKIFDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-7-14(8-2,9-15-10(3)11(17)18)16-12(19)20-13(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid?
2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid has a molecular weight of 288.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid is sourced from PubChem (CID 107251605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).