5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid

C7H11N3O2 — CID 20682071

IUPAC5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid
SMILESC[C@@H](N)Cc1cnc(C(=O)O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4(8)2-5-3-9-6(10-5)7(11)12/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t4-/m1/s1
InChIKeyXSJHKTIWZRFWIS-SCSAIBSYSA-N
MW169.18 g/mol
LogP-0.00
Rot. Bonds3

About 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid

5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid (PubChem CID 20682071) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid
PubChem CID20682071
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid
SMILESC[C@@H](N)Cc1cnc(C(=O)O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4(8)2-5-3-9-6(10-5)7(11)12/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t4-/m1/s1
InChIKeyXSJHKTIWZRFWIS-SCSAIBSYSA-N
XLogP-0.00
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Histidine
CID 6274
Histidine Monohydrochloride
CID 66091
D-Histidine
CID 71083
DL-histidine
CID 773
N-Acetyl-L-histidine
CID 75619
Histidylglycine
CID 101179
Histidine Monohydrochloride Monohydrate
CID 165377
Histidylalanine
CID 101180
2-Aminohistidine
CID 12071049
N-methyl-L-histidine
CID 90638
L-histidinium(1+)
CID 86580368
NoName_494
CID 273260

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid (CID 20682071) is 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid is C[C@@H](N)Cc1cnc(C(=O)O)[nH]1.
What is the InChIKey of 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid?
The InChIKey is XSJHKTIWZRFWIS-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(8)2-5-3-9-6(10-5)7(11)12/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t4-/m1/s1.
What are the key properties of 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid?
5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 20682071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).