2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

C6H9N3O4 — CID 59953083

IUPAC2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESNC[C@@H]1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C6H9N3O4/c7-1-3-5(12)9(2-4(10)11)6(13)8-3/h3H,1-2,7H2,(H,8,13)(H,10,11)/t3-/m0/s1
InChIKeyFFNUKJPGKYBYFH-VKHMYHEASA-N
MW187.15 g/mol
LogP-2.05
Rot. Bonds3

About 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 59953083) has the molecular formula C6H9N3O4 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID59953083
Molecular FormulaC6H9N3O4
Molecular Weight187.15 g/mol
Exact Mass187.06
IUPAC Name2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESNC[C@@H]1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C6H9N3O4/c7-1-3-5(12)9(2-4(10)11)6(13)8-3/h3H,1-2,7H2,(H,8,13)(H,10,11)/t3-/m0/s1
InChIKeyFFNUKJPGKYBYFH-VKHMYHEASA-N
XLogP-2.05
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-2.05
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-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 21357442
2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 134107553
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 67796016
2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid
CID 21357426
2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetohydrazide
CID 63577727
3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
CID 103071713
3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
CID 6486729
3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
CID 63912854
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
butyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetate
CID 54942288
(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione
CID 130751870

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 59953083) is 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is NC[C@@H]1NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is FFNUKJPGKYBYFH-VKHMYHEASA-N. The full InChI is InChI=1S/C6H9N3O4/c7-1-3-5(12)9(2-4(10)11)6(13)8-3/h3H,1-2,7H2,(H,8,13)(H,10,11)/t3-/m0/s1.
What are the key properties of 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 187.15 g/mol, XLogP of -2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 59953083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).