2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid

C12H22N2O8 — CID 177147686

IUPAC2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid
SMILESO=C(NCCCCC(NC(=O)OCCO)C(=O)O)OCCO
InChIInChI=1S/C12H22N2O8/c15-5-7-21-11(19)13-4-2-1-3-9(10(17)18)14-12(20)22-8-6-16/h9,15-16H,1-8H2,(H,13,19)(H,14,20)(H,17,18)
InChIKeyMWEKTNLCVVQBGL-UHFFFAOYSA-N
MW322.31 g/mol
LogP-0.95
Rot. Bonds11

About 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid

2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid (PubChem CID 177147686) has the molecular formula C12H22N2O8 and a molecular weight of 322.31 g/mol. Its IUPAC name is 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid
PubChem CID177147686
Molecular FormulaC12H22N2O8
Molecular Weight322.31 g/mol
Exact Mass322.14
IUPAC Name2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid
SMILESO=C(NCCCCC(NC(=O)OCCO)C(=O)O)OCCO
InChIInChI=1S/C12H22N2O8/c15-5-7-21-11(19)13-4-2-1-3-9(10(17)18)14-12(20)22-8-6-16/h9,15-16H,1-8H2,(H,13,19)(H,14,20)(H,17,18)
InChIKeyMWEKTNLCVVQBGL-UHFFFAOYSA-N
XLogP-0.95
TPSA154.42 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(3-azidopropoxycarbonylamino)hexanoic acid
CID 90390462
2,6-bis(prop-2-ynoxycarbonylamino)hexanoic acid
CID 90390791
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
2-hydroxyethyl (2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoate
CID 166903583
(2S)-5-(ethoxycarbonylamino)-2-(methoxycarbonylamino)pentanoic acid
CID 54140960
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187
6-(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 170252830
2-(butoxycarbonylamino)octanoic acid
CID 87548518
ethyl (2S)-2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603854
ethyl 2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603912
6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 58984404
2-hydroxyethyl N-heptylcarbamate
CID 124705283

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid?
The IUPAC name of 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid (CID 177147686) is 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid?
The canonical SMILES for 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid is O=C(NCCCCC(NC(=O)OCCO)C(=O)O)OCCO.
What is the InChIKey of 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid?
The InChIKey is MWEKTNLCVVQBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O8/c15-5-7-21-11(19)13-4-2-1-3-9(10(17)18)14-12(20)22-8-6-16/h9,15-16H,1-8H2,(H,13,19)(H,14,20)(H,17,18).
What are the key properties of 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid?
2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid has a molecular weight of 322.31 g/mol, XLogP of -0.95, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 177147686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).