(2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid

C10H18N2O6 — CID 124780506

IUPAC(2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid
SMILESO=C(CO)NCCCC[C@@H](NC(=O)CO)C(=O)O
InChIInChI=1S/C10H18N2O6/c13-5-8(15)11-4-2-1-3-7(10(17)18)12-9(16)6-14/h7,13-14H,1-6H2,(H,11,15)(H,12,16)(H,17,18)/t7-/m1/s1
InChIKeyLJYZYSYXZUDTMF-SSDOTTSWSA-N
MW262.26 g/mol
LogP-2.17
Rot. Bonds9

About (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid

(2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid (PubChem CID 124780506) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid
PubChem CID124780506
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name(2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid
SMILESO=C(CO)NCCCC[C@@H](NC(=O)CO)C(=O)O
InChIInChI=1S/C10H18N2O6/c13-5-8(15)11-4-2-1-3-7(10(17)18)12-9(16)6-14/h7,13-14H,1-6H2,(H,11,15)(H,12,16)(H,17,18)/t7-/m1/s1
InChIKeyLJYZYSYXZUDTMF-SSDOTTSWSA-N
XLogP-2.17
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(3-carboxybut-3-enoylamino)hexanoic acid
CID 169121656
2,6-bis(6-hydroxyhexanoylamino)hexanoic acid
CID 132936329
2,6-bis(3-sulfanylpropanoylamino)hexanoic acid
CID 89167992
2,6-bis(4-oxopentanoylamino)hexanoic acid
CID 59434222
2,6-bis(carboxyamino)hexanoic acid
CID 23574348
2-hydroxy-N-[7-[(2-hydroxyacetyl)amino]heptyl]acetamide
CID 119089107
(2R)-2,6-bis(carbamoylamino)hexanoic acid
CID 2512815
16-[[5-[(2-bromoacetyl)amino]-1-carboxypentyl]amino]-16-oxohexadecanoic acid
CID 88929631
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
(2S)-2-[[(1S)-1-carboxy-5-(propanoylamino)pentyl]carbamoylamino]pentanedioic acid
CID 118400178
(2S)-2,6-bis[[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]hexanoic acid
CID 59921848
(2S)-2-[[2-[[(1S)-1-carboxy-5-(dodecanoylamino)pentyl]amino]-2-oxoacetyl]amino]-6-(dodecanoylamino)hexanoic acid
CID 101258757

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid?
The IUPAC name of (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid (CID 124780506) is (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid.
What is the SMILES notation for (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid?
The canonical SMILES for (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid is O=C(CO)NCCCC[C@@H](NC(=O)CO)C(=O)O.
What is the InChIKey of (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid?
The InChIKey is LJYZYSYXZUDTMF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O6/c13-5-8(15)11-4-2-1-3-7(10(17)18)12-9(16)6-14/h7,13-14H,1-6H2,(H,11,15)(H,12,16)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid?
(2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid has a molecular weight of 262.26 g/mol, XLogP of -2.17, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid is sourced from PubChem (CID 124780506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).