2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid

C10H16N4O3 — CID 4060209

IUPAC2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid
SMILESCCC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-2-8(10(16)17)14-9(15)7(11)3-6-4-12-5-13-6/h4-5,7-8H,2-3,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyOATKVBYNYJPVMF-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.74
Rot. Bonds6

About 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid

2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid (PubChem CID 4060209) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid
PubChem CID4060209
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid
SMILESCCC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-2-8(10(16)17)14-9(15)7(11)3-6-4-12-5-13-6/h4-5,7-8H,2-3,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyOATKVBYNYJPVMF-UHFFFAOYSA-N
XLogP-0.74
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-[[2-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 18495992
2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]butanedioic acid
CID 18221394
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]butanedioic acid
CID 145455869
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18500593
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-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-hydroxypropanoic acid
CID 175857260
2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
CID 18221587
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
CID 145456020
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
CID 145455737
2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 18221460
2-[[2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-carboxypropanoyl]amino]butanedioic acid
CID 18492693
3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[3-carboxy-1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18493889
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid;dihydrate
CID 175739992

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid (CID 4060209) is 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid is CCC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid?
The InChIKey is OATKVBYNYJPVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-8(10(16)17)14-9(15)7(11)3-6-4-12-5-13-6/h4-5,7-8H,2-3,11H2,1H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid?
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 4060209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).