3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid

C6H11N3O2 — CID 137349244

IUPAC3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid
SMILESNC1=NC[C@@H](CCC(=O)O)N1
InChIInChI=1S/C6H11N3O2/c7-6-8-3-4(9-6)1-2-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,8,9)/t4-/m1/s1
InChIKeyXWJJYUBXTJRSEQ-SCSAIBSYSA-N
MW157.17 g/mol
LogP-0.86
Rot. Bonds3

About 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid

3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid (PubChem CID 137349244) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid
PubChem CID137349244
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid
SMILESNC1=NC[C@@H](CCC(=O)O)N1
InChIInChI=1S/C6H11N3O2/c7-6-8-3-4(9-6)1-2-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,8,9)/t4-/m1/s1
InChIKeyXWJJYUBXTJRSEQ-SCSAIBSYSA-N
XLogP-0.86
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid?
The IUPAC name of 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid (CID 137349244) is 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid?
The canonical SMILES for 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid is NC1=NC[C@@H](CCC(=O)O)N1.
What is the InChIKey of 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid?
The InChIKey is XWJJYUBXTJRSEQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-6-8-3-4(9-6)1-2-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,8,9)/t4-/m1/s1.
What are the key properties of 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid?
3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid has a molecular weight of 157.17 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid is sourced from PubChem (CID 137349244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).