3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C11H21NO4 — CID 17039381

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-5-6-8(7-9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyWTYLEXCGLNFFIN-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.15
Rot. Bonds5

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 17039381) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID17039381
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-5-6-8(7-9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyWTYLEXCGLNFFIN-UHFFFAOYSA-N
XLogP2.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 162371906
tert-butyl N-(1-iodopentan-2-yl)carbamate
CID 130004386
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 144940972
(3S)-4-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118280254
(3R)-5-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 131637281
3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 53397925
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
tert-butyl N-[1-(methylamino)heptan-4-yl]carbamate
CID 145027232
methyl 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate
CID 88987018
tert-butyl N-decan-5-ylcarbamate
CID 174754300
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 139358946
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 17039381) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CCCC(CC(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is WTYLEXCGLNFFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-6-8(7-9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 17039381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).