(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid

C12H19NO6 — CID 107831657

IUPAC(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C12H19NO6/c14-10(7-8-3-2-6-19-8)13-9(12(17)18)4-1-5-11(15)16/h8-9H,1-7H2,(H,13,14)(H,15,16)(H,17,18)/t8?,9-/m1/s1
InChIKeyBKXGNNDDQZUCID-YGPZHTELSA-N
MW273.28 g/mol
LogP0.38
Rot. Bonds8

About (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid

(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid (PubChem CID 107831657) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid
PubChem CID107831657
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C12H19NO6/c14-10(7-8-3-2-6-19-8)13-9(12(17)18)4-1-5-11(15)16/h8-9H,1-7H2,(H,13,14)(H,15,16)(H,17,18)/t8?,9-/m1/s1
InChIKeyBKXGNNDDQZUCID-YGPZHTELSA-N
XLogP0.38
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
CID 81076491
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 82787504
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
CID 107831353
(2S)-4-hydroxy-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 107821935
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
CID 104855552
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
CID 65157376
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid (CID 107831657) is (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)CC1CCCO1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid?
The InChIKey is BKXGNNDDQZUCID-YGPZHTELSA-N. The full InChI is InChI=1S/C12H19NO6/c14-10(7-8-3-2-6-19-8)13-9(12(17)18)4-1-5-11(15)16/h8-9H,1-7H2,(H,13,14)(H,15,16)(H,17,18)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid?
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid has a molecular weight of 273.28 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(oxolan-2-yl)acetyl]amino]hexanedioic acid is sourced from PubChem (CID 107831657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).