2-amino-6-(methoxycarbonylamino)hexanoic acid

C8H16N2O4 — CID 10899722

IUPAC2-amino-6-(methoxycarbonylamino)hexanoic acid
SMILESCOC(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-14-8(13)10-5-3-2-4-6(9)7(11)12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyZUASNUUDNPNMAT-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.08
Rot. Bonds6

About 2-amino-6-(methoxycarbonylamino)hexanoic acid

2-amino-6-(methoxycarbonylamino)hexanoic acid (PubChem CID 10899722) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-6-(methoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(methoxycarbonylamino)hexanoic acid
PubChem CID10899722
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-amino-6-(methoxycarbonylamino)hexanoic acid
SMILESCOC(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-14-8(13)10-5-3-2-4-6(9)7(11)12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyZUASNUUDNPNMAT-UHFFFAOYSA-N
XLogP-0.08
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
(2S)-2-amino-6-(butoxycarbonylamino)hexanoic acid
CID 87110620
2-amino-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
CID 87631740
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S)-2-amino-6-(cyclopropyloxycarbonylamino)hexanoic acid
CID 90090745
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
2-amino-6-(methylsulfanylcarbonylamino)hexanoic acid
CID 134355075

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methoxycarbonylamino)hexanoic acid?
The IUPAC name of 2-amino-6-(methoxycarbonylamino)hexanoic acid (CID 10899722) is 2-amino-6-(methoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 2-amino-6-(methoxycarbonylamino)hexanoic acid?
The canonical SMILES for 2-amino-6-(methoxycarbonylamino)hexanoic acid is COC(=O)NCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(methoxycarbonylamino)hexanoic acid?
The InChIKey is ZUASNUUDNPNMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-14-8(13)10-5-3-2-4-6(9)7(11)12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-amino-6-(methoxycarbonylamino)hexanoic acid?
2-amino-6-(methoxycarbonylamino)hexanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 10899722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).