2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid

C16H17N3O5 — CID 125131498

IUPAC2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid
SMILESC[C@]1(c2ccc(C(=O)N(CC(=O)O)C3CC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C16H17N3O5/c1-16(14(23)17-15(24)18-16)10-4-2-9(3-5-10)13(22)19(8-12(20)21)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,20,21)(H2,17,18,23,24)/t16-/m1/s1
InChIKeyBSEWSGZNKXTCKE-MRXNPFEDSA-N
MW331.33 g/mol
LogP0.43
Rot. Bonds5

About 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid

2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid (PubChem CID 125131498) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid
PubChem CID125131498
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid
SMILESC[C@]1(c2ccc(C(=O)N(CC(=O)O)C3CC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C16H17N3O5/c1-16(14(23)17-15(24)18-16)10-4-2-9(3-5-10)13(22)19(8-12(20)21)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,20,21)(H2,17,18,23,24)/t16-/m1/s1
InChIKeyBSEWSGZNKXTCKE-MRXNPFEDSA-N
XLogP0.43
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid (CID 125131498) is 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid is C[C@]1(c2ccc(C(=O)N(CC(=O)O)C3CC3)cc2)NC(=O)NC1=O.
What is the InChIKey of 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid?
The InChIKey is BSEWSGZNKXTCKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-16(14(23)17-15(24)18-16)10-4-2-9(3-5-10)13(22)19(8-12(20)21)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,20,21)(H2,17,18,23,24)/t16-/m1/s1.
What are the key properties of 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid?
2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid has a molecular weight of 331.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid is sourced from PubChem (CID 125131498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).