[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid

C14H26N2O6 — CID 123841015

IUPAC[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid
SMILESCC(C)(C)OC(=O)CCN(CC(=O)OC(C)(C)C)NC(=O)O
InChIInChI=1S/C14H26N2O6/c1-13(2,3)21-10(17)7-8-16(15-12(19)20)9-11(18)22-14(4,5)6/h15H,7-9H2,1-6H3,(H,19,20)
InChIKeyZGNBUDQMMGLJIM-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.54
Rot. Bonds6

About [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid

[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid (PubChem CID 123841015) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid.

Molecular Properties

Compound Name[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid
PubChem CID123841015
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid
SMILESCC(C)(C)OC(=O)CCN(CC(=O)OC(C)(C)C)NC(=O)O
InChIInChI=1S/C14H26N2O6/c1-13(2,3)21-10(17)7-8-16(15-12(19)20)9-11(18)22-14(4,5)6/h15H,7-9H2,1-6H3,(H,19,20)
InChIKeyZGNBUDQMMGLJIM-UHFFFAOYSA-N
XLogP1.54
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-benzylsulfanyl-2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamoylamino]propanoate
CID 71270643
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
CID 71382387
ditert-butyl pentanedioate
CID 3016405
tert-butyl 3-[bis(2-methylpropyl)amino]propanoate
CID 113226672
tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109
tert-butyl 2-[amino(methyl)amino]acetate
CID 11805056
(2R)-5-[(2-methylpropan-2-yl)oxy]-2-[[methyl(propyl)carbamoyl]amino]-5-oxopentanoic acid
CID 106931728
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015
tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
CID 115590859
tert-butyl 3-[bis(cyanomethyl)amino]propanoate
CID 116662798
tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
CID 115609763

Frequently Asked Questions

What is the IUPAC name of [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid?
The IUPAC name of [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid (CID 123841015) is [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid.
What is the SMILES notation for [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid?
The canonical SMILES for [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid is CC(C)(C)OC(=O)CCN(CC(=O)OC(C)(C)C)NC(=O)O.
What is the InChIKey of [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid?
The InChIKey is ZGNBUDQMMGLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6/c1-13(2,3)21-10(17)7-8-16(15-12(19)20)9-11(18)22-14(4,5)6/h15H,7-9H2,1-6H3,(H,19,20).
What are the key properties of [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid?
[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid has a molecular weight of 318.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]carbamic acid is sourced from PubChem (CID 123841015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).