2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

C11H18N4O3 — CID 107864243

IUPAC2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESCCC(N)CC(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-2-7(12)3-10(16)15-9(11(17)18)4-8-5-13-6-14-8/h5-7,9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyKBQRBTONVMLCTE-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.35
Rot. Bonds7

About 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 107864243) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID107864243
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESCCC(N)CC(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-2-7(12)3-10(16)15-9(11(17)18)4-8-5-13-6-14-8/h5-7,9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyKBQRBTONVMLCTE-UHFFFAOYSA-N
XLogP-0.35
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-aminohexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894534
5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-5-oxopentanoic acid
CID 123421350
(2R)-2-[[(3S)-3-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 23642271
(2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 28777519
2-(2-ethylbutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 43184423
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103869358
(2S)-2-[(2-chloroacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 156779892
2-(5-aminohexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 107864229
(2R)-3-(1H-imidazol-5-yl)-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 103870385
(2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894253
3-[[2-[(2-amino-3-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid
CID 18501870
(2R)-2-[(6-amino-4-ethylhexanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894486

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid (CID 107864243) is 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid is CCC(N)CC(=O)NC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is KBQRBTONVMLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-7(12)3-10(16)15-9(11(17)18)4-8-5-13-6-14-8/h5-7,9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid?
2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 254.29 g/mol, XLogP of -0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 107864243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).