(4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid

C5H8N2O2 — CID 169221975

IUPAC(4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid
SMILESCC1=N[C@H](C(=O)O)CN1
InChIInChI=1S/C5H8N2O2/c1-3-6-2-4(7-3)5(8)9/h4H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
InChIKeyDKAYTUYQCBZFDF-BYPYZUCNSA-N
MW128.13 g/mol
LogP-0.54
Rot. Bonds1

About (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid

(4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid (PubChem CID 169221975) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid
PubChem CID169221975
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid
SMILESCC1=N[C@H](C(=O)O)CN1
InChIInChI=1S/C5H8N2O2/c1-3-6-2-4(7-3)5(8)9/h4H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
InChIKeyDKAYTUYQCBZFDF-BYPYZUCNSA-N
XLogP-0.54
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 15020018
2-(4,5-dihydro-1H-imidazol-2-yl)acetic acid
CID 14231206
2-Amino-3-(1-aminoethylideneamino)propanoic acid
CID 17764462
3-(Ethylamino)-3-ethyliminopropanoic acid
CID 20369326
4,5-dihydro-1H-imidazole-2,5-dicarboxylic acid
CID 21453049
(5R)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 45107422
2-(aminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 59104970
2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid
CID 66601524
methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate
CID 68708922
methyl 2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylate
CID 69299892
2-(4,5-dihydro-1H-imidazol-2-yl)acetic acid;hydrochloride
CID 70622781
2-ethyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 84762696

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid?
The IUPAC name of (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid (CID 169221975) is (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid is CC1=N[C@H](C(=O)O)CN1.
What is the InChIKey of (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid?
The InChIKey is DKAYTUYQCBZFDF-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-6-2-4(7-3)5(8)9/h4H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1.
What are the key properties of (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid?
(4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid has a molecular weight of 128.13 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4,5-dihydro-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 169221975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).