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

C6H11N3O2 — CID 67425595

IUPAC(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid
SMILESN[C@@H](CC1CN=CN1)C(=O)O
InChIInChI=1S/C6H11N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h3-5H,1-2,7H2,(H,8,9)(H,10,11)/t4?,5-/m0/s1
InChIKeyRYPMHSMPLYHQOR-AKGZTFGVSA-N
MW157.17 g/mol
LogP-1.21
Rot. Bonds3

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

(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid (PubChem CID 67425595) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid
PubChem CID67425595
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid
SMILESN[C@@H](CC1CN=CN1)C(=O)O
InChIInChI=1S/C6H11N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h3-5H,1-2,7H2,(H,8,9)(H,10,11)/t4?,5-/m0/s1
InChIKeyRYPMHSMPLYHQOR-AKGZTFGVSA-N
XLogP-1.21
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 ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid (CID 67425595) is (2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid is N[C@@H](CC1CN=CN1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid?
The InChIKey is RYPMHSMPLYHQOR-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h3-5H,1-2,7H2,(H,8,9)(H,10,11)/t4?,5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid?
(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of -1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 67425595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).