2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid

C9H14N4O3 — CID 10356736

IUPAC2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid
SMILESCc1[nH]cnc1CC(NC(=O)CN)C(=O)O
InChIInChI=1S/C9H14N4O3/c1-5-6(12-4-11-5)2-7(9(15)16)13-8(14)3-10/h4,7H,2-3,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyBOFSXSWSWPFSHB-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.21
Rot. Bonds5

About 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid

2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid (PubChem CID 10356736) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid
PubChem CID10356736
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid
SMILESCc1[nH]cnc1CC(NC(=O)CN)C(=O)O
InChIInChI=1S/C9H14N4O3/c1-5-6(12-4-11-5)2-7(9(15)16)13-8(14)3-10/h4,7H,2-3,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyBOFSXSWSWPFSHB-UHFFFAOYSA-N
XLogP-1.21
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid
CID 167808129
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 135238695
3-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid
CID 18487954
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 71359752
(2S)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 145455580
(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 175735347
(4S)-4-[(2-aminoacetyl)amino]-5-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-5-oxopentanoic acid
CID 91975658
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid
CID 145455627
3-[(2-aminoacetyl)amino]-4-[[1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18486244
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18488074
(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 24946033

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid (CID 10356736) is 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid is Cc1[nH]cnc1CC(NC(=O)CN)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid?
The InChIKey is BOFSXSWSWPFSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-6(12-4-11-5)2-7(9(15)16)13-8(14)3-10/h4,7H,2-3,10H2,1H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid?
2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid has a molecular weight of 226.24 g/mol, XLogP of -1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-3-(5-methyl-1H-imidazol-4-yl)propanoic acid is sourced from PubChem (CID 10356736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).