Anserine

C10H16N4O3 — CID 112072

IUPAC(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
SMILESCN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN
InChIInChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyMYYIAHXIVFADCU-QMMMGPOBSA-N
MW240.26 g/mol
LogP-4.00
Rot. Bonds6

About Anserine

Anserine (PubChem CID 112072) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound NameAnserine
PubChem CID112072
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
SMILESCN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN
InChIInChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyMYYIAHXIVFADCU-QMMMGPOBSA-N
XLogP-4.00
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity285

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-4.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Anserine?
The IUPAC name of Anserine (CID 112072) is (2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid.
What is the SMILES notation for Anserine?
The canonical SMILES for Anserine is CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN.
What is the InChIKey of Anserine?
The InChIKey is MYYIAHXIVFADCU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1.
What are the key properties of Anserine?
Anserine has a molecular weight of 240.26 g/mol, XLogP of -4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Anserine is sourced from PubChem (CID 112072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).