2-(2-amino-4-methylimidazolidin-1-yl)acetic acid

C6H13N3O2 — CID 126621690

IUPAC2-(2-amino-4-methylimidazolidin-1-yl)acetic acid
SMILESCC1CN(CC(=O)O)C(N)N1
InChIInChI=1S/C6H13N3O2/c1-4-2-9(3-5(10)11)6(7)8-4/h4,6,8H,2-3,7H2,1H3,(H,10,11)
InChIKeyBIGXWGGYSDAYDD-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.39
Rot. Bonds2

About 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid

2-(2-amino-4-methylimidazolidin-1-yl)acetic acid (PubChem CID 126621690) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-methylimidazolidin-1-yl)acetic acid
PubChem CID126621690
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-(2-amino-4-methylimidazolidin-1-yl)acetic acid
SMILESCC1CN(CC(=O)O)C(N)N1
InChIInChI=1S/C6H13N3O2/c1-4-2-9(3-5(10)11)6(7)8-4/h4,6,8H,2-3,7H2,1H3,(H,10,11)
InChIKeyBIGXWGGYSDAYDD-UHFFFAOYSA-N
XLogP-1.39
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid (CID 126621690) is 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid is CC1CN(CC(=O)O)C(N)N1.
What is the InChIKey of 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid?
The InChIKey is BIGXWGGYSDAYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-4-2-9(3-5(10)11)6(7)8-4/h4,6,8H,2-3,7H2,1H3,(H,10,11).
What are the key properties of 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid?
2-(2-amino-4-methylimidazolidin-1-yl)acetic acid has a molecular weight of 159.19 g/mol, XLogP of -1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 126621690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).