5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C14H21N5O5 — CID 129303297

IUPAC5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SMILESCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)CCCC(=O)O)C(N)=O
InChIInChI=1S/C14H21N5O5/c1-8(13(15)23)18-14(24)10(5-9-6-16-7-17-9)19-11(20)3-2-4-12(21)22/h6-8,10H,2-5H2,1H3,(H2,15,23)(H,16,17)(H,18,24)(H,19,20)(H,21,22)
InChIKeyLAFOIDRUYRCSRA-UHFFFAOYSA-N
MW339.35 g/mol
LogP-1.32
Rot. Bonds10

About 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 129303297) has the molecular formula C14H21N5O5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
PubChem CID129303297
Molecular FormulaC14H21N5O5
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC Name5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SMILESCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)CCCC(=O)O)C(N)=O
InChIInChI=1S/C14H21N5O5/c1-8(13(15)23)18-14(24)10(5-9-6-16-7-17-9)19-11(20)3-2-4-12(21)22/h6-8,10H,2-5H2,1H3,(H2,15,23)(H,16,17)(H,18,24)(H,19,20)(H,21,22)
InChIKeyLAFOIDRUYRCSRA-UHFFFAOYSA-N
XLogP-1.32
TPSA167.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 123914113
(2S)-N-[(2R)-1-amino-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(4-phenylbutanoylamino)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
CID 142577071
N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide
CID 46879316
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 70890007
N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide
CID 123905839
(2S)-3-(1H-imidazol-5-yl)-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
CID 61173859
2-(5-aminohexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 107864229
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
CID 18487665
(4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 145455385
2-[[2-[[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
CID 18235916
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-5-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 102410379
ethyl (2R)-2-[[(2S)-2-(hexadecanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoate
CID 174225790

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CID 129303297) is 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)CCCC(=O)O)C(N)=O.
What is the InChIKey of 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is LAFOIDRUYRCSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O5/c1-8(13(15)23)18-14(24)10(5-9-6-16-7-17-9)19-11(20)3-2-4-12(21)22/h6-8,10H,2-5H2,1H3,(H2,15,23)(H,16,17)(H,18,24)(H,19,20)(H,21,22).
What are the key properties of 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 339.35 g/mol, XLogP of -1.32, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 129303297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).