(2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid

C11H17N3O5 — CID 120615088

IUPAC(2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CN1CC(=O)NC1=O)C(=O)O
InChIInChI=1S/C11H17N3O5/c1-2-3-4-7(10(17)18)12-8(15)5-14-6-9(16)13-11(14)19/h7H,2-6H2,1H3,(H,12,15)(H,17,18)(H,13,16,19)/t7-/m0/s1
InChIKeyGACGVEDJRRCVRK-ZETCQYMHSA-N
MW271.27 g/mol
LogP-0.70
Rot. Bonds7

About (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid

(2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid (PubChem CID 120615088) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid
PubChem CID120615088
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name(2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CN1CC(=O)NC1=O)C(=O)O
InChIInChI=1S/C11H17N3O5/c1-2-3-4-7(10(17)18)12-8(15)5-14-6-9(16)13-11(14)19/h7H,2-6H2,1H3,(H,12,15)(H,17,18)(H,13,16,19)/t7-/m0/s1
InChIKeyGACGVEDJRRCVRK-ZETCQYMHSA-N
XLogP-0.70
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid with MolForge

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Related Compounds

N-(1-aminohexan-2-yl)-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 119665683
(2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid
CID 120614914
(2S)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
CID 120614019
(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 107146814
2-[(2-propan-2-ylsulfanylacetyl)amino]hexanoic acid
CID 43469805
(2S)-2-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
CID 93057045
(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid
CID 40637276
(2S)-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]hexanoic acid
CID 120614308
2-[(2-butylsulfanylacetyl)amino]hexanoic acid
CID 43469712
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid (CID 120615088) is (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)CN1CC(=O)NC1=O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is GACGVEDJRRCVRK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-2-3-4-7(10(17)18)12-8(15)5-14-6-9(16)13-11(14)19/h7H,2-6H2,1H3,(H,12,15)(H,17,18)(H,13,16,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid?
(2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 271.27 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 120615088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).