2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole

C10H19N3O2 — CID 174836740

IUPAC2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole
SMILESCCCCc1cnc(C)[nH]1.NCC(=O)O
InChIInChI=1S/C8H14N2.C2H5NO2/c1-3-4-5-8-6-9-7(2)10-8;3-1-2(4)5/h6H,3-5H2,1-2H3,(H,9,10);1,3H2,(H,4,5)
InChIKeyPGEOBBLVIMHMTI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.09
Rot. Bonds4

About 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole

2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole (PubChem CID 174836740) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole.

Molecular Properties

Compound Name2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole
PubChem CID174836740
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole
SMILESCCCCc1cnc(C)[nH]1.NCC(=O)O
InChIInChI=1S/C8H14N2.C2H5NO2/c1-3-4-5-8-6-9-7(2)10-8;3-1-2(4)5/h6H,3-5H2,1-2H3,(H,9,10);1,3H2,(H,4,5)
InChIKeyPGEOBBLVIMHMTI-UHFFFAOYSA-N
XLogP1.09
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid
CID 174836743
5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
CID 70249249
4-bromobenzoic acid;5-butyl-2-methyl-1H-imidazole
CID 174834013
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
2-bromobenzoic acid;5-butyl-2-methyl-1H-imidazole
CID 174693347
7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264947
2-methyl-5-propyl-1H-imidazole
CID 22956170
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
CID 67010725
N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine
CID 140833499
2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
CID 82407203
N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264954
5-(16-chlorohexadecyl)-2-methyl-1H-imidazole
CID 175160891

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole?
The IUPAC name of 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole (CID 174836740) is 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole.
What is the SMILES notation for 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole?
The canonical SMILES for 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole is CCCCc1cnc(C)[nH]1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole?
The InChIKey is PGEOBBLVIMHMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2H5NO2/c1-3-4-5-8-6-9-7(2)10-8;3-1-2(4)5/h6H,3-5H2,1-2H3,(H,9,10);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole?
2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole has a molecular weight of 213.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole is sourced from PubChem (CID 174836740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).