2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid

C12H24N2O4 — CID 113470663

IUPAC2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NC(C)(C)COC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-7-9(10(15)16)13-11(17)14-12(2,3)8-18-4/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyAVQRISSKFVAINM-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.35
Rot. Bonds8

About 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid

2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid (PubChem CID 113470663) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid
PubChem CID113470663
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NC(C)(C)COC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-7-9(10(15)16)13-11(17)14-12(2,3)8-18-4/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyAVQRISSKFVAINM-UHFFFAOYSA-N
XLogP1.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid
CID 104862179
(2S)-5-methoxy-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 107828997
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104862178
5-methoxy-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 81086247
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103997677
(2S)-2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107146485
1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115690657
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S)-4-hydroxy-2-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107829003
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
(2S)-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]hexanoic acid
CID 107146129

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid?
The IUPAC name of 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid (CID 113470663) is 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid?
The canonical SMILES for 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid is CCCCC(NC(=O)NC(C)(C)COC)C(=O)O.
What is the InChIKey of 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid?
The InChIKey is AVQRISSKFVAINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-6-7-9(10(15)16)13-11(17)14-12(2,3)8-18-4/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid?
2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 113470663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).