4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid

C11H19N3O6 — CID 18218343

IUPAC4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid
SMILESCC(N)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-5(12)9(17)14-7(3-4-8(15)16)10(18)13-6(2)11(19)20/h5-7H,3-4,12H2,1-2H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20)
InChIKeyFUSPCLTUKXQREV-UHFFFAOYSA-N
MW289.29 g/mol
LogP-1.73
Rot. Bonds8

About 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid

4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid (PubChem CID 18218343) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid
PubChem CID18218343
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid
SMILESCC(N)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-5(12)9(17)14-7(3-4-8(15)16)10(18)13-6(2)11(19)20/h5-7H,3-4,12H2,1-2H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20)
InChIKeyFUSPCLTUKXQREV-UHFFFAOYSA-N
XLogP-1.73
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-1.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-amino-1-(1-carboxyethylamino)-1,4-dioxobutan-2-yl]amino]-4-(2-aminopropanoylamino)-5-oxopentanoic acid
CID 18234613
4-amino-5-[[4-carboxy-1-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264447
2-[2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 18234583
5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18232688
4-amino-5-[[4-carboxy-1-[[1-(1-carboxyethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264739
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18235072
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid
CID 145453582
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid
CID 145453573
5-amino-2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18218348
(4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 145456125
4-[(2-amino-3-carboxypropanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18248799

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid?
The IUPAC name of 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid (CID 18218343) is 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid is CC(N)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)O.
What is the InChIKey of 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid?
The InChIKey is FUSPCLTUKXQREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-5(12)9(17)14-7(3-4-8(15)16)10(18)13-6(2)11(19)20/h5-7H,3-4,12H2,1-2H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20).
What are the key properties of 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid?
4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid has a molecular weight of 289.29 g/mol, XLogP of -1.73, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropanoylamino)-5-(1-carboxyethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 18218343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).