8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid

C13H25NO4 — CID 546215

IUPAC8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
SMILESCC(C)(C)OC(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-12(17)14-10-8-6-4-5-7-9-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFPRZYWCRQHFPSX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds8

About 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid

8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid (PubChem CID 546215) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid.

Molecular Properties

Compound Name8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
PubChem CID546215
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
SMILESCC(C)(C)OC(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-12(17)14-10-8-6-4-5-7-9-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFPRZYWCRQHFPSX-UHFFFAOYSA-N
XLogP2.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(((Tert-butoxy)carbonyl)amino)hexanoic acid
CID 333435
(1r,4r)-4-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid
CID 736918
N-tert-Butoxycarbonyl-L-norleucine
CID 2733747
2-Amino-6-(((tert-butoxy)carbonyl)amino)hexanoic acid
CID 544580
7-(((Tert-butoxy)carbonyl)amino)heptanoic acid
CID 546122
6-((tert-Butoxycarbonyl)amino)hexanoic acid
CID 637602
11-((tert-Butoxycarbonyl)amino)undecanoic acid
CID 4229290
(2R)-2-amino-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid
CID 7018774
(2S)-2-amino-6-(((tert-butoxy)carbonyl)amino)hexanoic acid
CID 2733283
9-{[(Tert-butoxy)carbonyl]amino}nonanoic acid
CID 4170356
(2R)-2-{[(tert-butoxy)carbonyl]amino}hexanoic acid
CID 6992559
2-((1s,4s)-4-(((Tert-butoxy)carbonyl)amino)cyclohexyl)acetic acid
CID 11253897

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid?
The IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid (CID 546215) is 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid.
What is the SMILES notation for 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid?
The canonical SMILES for 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid is CC(C)(C)OC(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid?
The InChIKey is FPRZYWCRQHFPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,3)18-12(17)14-10-8-6-4-5-7-9-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid?
8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid is sourced from PubChem (CID 546215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).