6-(methoxycarbonylamino)hexanoic acid

C8H15NO4 — CID 22382374

IUPAC6-(methoxycarbonylamino)hexanoic acid
SMILESCOC(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H15NO4/c1-13-8(12)9-6-4-2-3-5-7(10)11/h2-6H2,1H3,(H,9,12)(H,10,11)
InChIKeyNEUIMHVMDXYKQU-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.99
Rot. Bonds6

About 6-(methoxycarbonylamino)hexanoic acid

6-(methoxycarbonylamino)hexanoic acid (PubChem CID 22382374) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-(methoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(methoxycarbonylamino)hexanoic acid
PubChem CID22382374
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name6-(methoxycarbonylamino)hexanoic acid
SMILESCOC(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H15NO4/c1-13-8(12)9-6-4-2-3-5-7(10)11/h2-6H2,1H3,(H,9,12)(H,10,11)
InChIKeyNEUIMHVMDXYKQU-UHFFFAOYSA-N
XLogP0.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.99
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

methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
ethane;3-(methoxycarbonylamino)propanoic acid
CID 145468285
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
6-(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 170252830
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 22088707
6-acetamidohexanoic acid;methane
CID 163527023
5-(2-methoxypropanoylamino)pentanoic acid
CID 115731347

Frequently Asked Questions

What is the IUPAC name of 6-(methoxycarbonylamino)hexanoic acid?
The IUPAC name of 6-(methoxycarbonylamino)hexanoic acid (CID 22382374) is 6-(methoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 6-(methoxycarbonylamino)hexanoic acid?
The canonical SMILES for 6-(methoxycarbonylamino)hexanoic acid is COC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(methoxycarbonylamino)hexanoic acid?
The InChIKey is NEUIMHVMDXYKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-13-8(12)9-6-4-2-3-5-7(10)11/h2-6H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 6-(methoxycarbonylamino)hexanoic acid?
6-(methoxycarbonylamino)hexanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 22382374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).