(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid

C14H15N3O5 — CID 119370008

IUPAC(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(=O)O
InChIInChI=1S/C14H15N3O5/c1-8(13(20)21)16-12(19)10-4-2-3-9(5-10)7-17-11(18)6-15-14(17)22/h2-5,8H,6-7H2,1H3,(H,15,22)(H,16,19)(H,20,21)/t8-/m1/s1
InChIKeySXCGASILIFVWBA-MRVPVSSYSA-N
MW305.29 g/mol
LogP-0.06
Rot. Bonds5

About (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid

(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid (PubChem CID 119370008) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
PubChem CID119370008
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(=O)O
InChIInChI=1S/C14H15N3O5/c1-8(13(20)21)16-12(19)10-4-2-3-9(5-10)7-17-11(18)6-15-14(17)22/h2-5,8H,6-7H2,1H3,(H,15,22)(H,16,19)(H,20,21)/t8-/m1/s1
InChIKeySXCGASILIFVWBA-MRVPVSSYSA-N
XLogP-0.06
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
N-(2,4-dimethylphenyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35438664
N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 33381394
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119440495
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 124614078
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119393878
[4-(phenylcarbamoyl)phenyl]methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33076527
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-quinolin-3-ylbenzamide
CID 29331146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid (CID 119370008) is (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid is C[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid?
The InChIKey is SXCGASILIFVWBA-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-8(13(20)21)16-12(19)10-4-2-3-9(5-10)7-17-11(18)6-15-14(17)22/h2-5,8H,6-7H2,1H3,(H,15,22)(H,16,19)(H,20,21)/t8-/m1/s1.
What are the key properties of (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid?
(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid has a molecular weight of 305.29 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 119370008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).