(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid

C14H23NO6 — CID 107831676

IUPAC(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid
SMILESCCOC1CC(CC(=O)N[C@H](CCCC(=O)O)C(=O)O)C1
InChIInChI=1S/C14H23NO6/c1-2-21-10-6-9(7-10)8-12(16)15-11(14(19)20)4-3-5-13(17)18/h9-11H,2-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t9?,10?,11-/m1/s1
InChIKeyQPBPJETVNSWUKD-VQXHTEKXSA-N
MW301.34 g/mol
LogP1.02
Rot. Bonds10

About (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid

(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid (PubChem CID 107831676) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid
PubChem CID107831676
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid
SMILESCCOC1CC(CC(=O)N[C@H](CCCC(=O)O)C(=O)O)C1
InChIInChI=1S/C14H23NO6/c1-2-21-10-6-9(7-10)8-12(16)15-11(14(19)20)4-3-5-13(17)18/h9-11H,2-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t9?,10?,11-/m1/s1
InChIKeyQPBPJETVNSWUKD-VQXHTEKXSA-N
XLogP1.02
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid
CID 103162128
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
N-butan-2-yl-2-(3-ethoxycyclobutyl)acetamide
CID 103164593
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid
CID 114006779
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
CID 107146892
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
20-[[(1S)-1-carboxy-5-[[(1S)-1-carboxy-4-oxopentyl]amino]-5-oxopentyl]amino]-20-oxoicosanoic acid
CID 129288276

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid (CID 107831676) is (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid is CCOC1CC(CC(=O)N[C@H](CCCC(=O)O)C(=O)O)C1.
What is the InChIKey of (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid?
The InChIKey is QPBPJETVNSWUKD-VQXHTEKXSA-N. The full InChI is InChI=1S/C14H23NO6/c1-2-21-10-6-9(7-10)8-12(16)15-11(14(19)20)4-3-5-13(17)18/h9-11H,2-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid?
(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid has a molecular weight of 301.34 g/mol, XLogP of 1.02, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid is sourced from PubChem (CID 107831676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).