4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid

C9H15N3O5 — CID 155353905

IUPAC4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid
SMILESNCC(=O)NC(CCC(=O)O)C(=O)NCC=O
InChIInChI=1S/C9H15N3O5/c10-5-7(14)12-6(1-2-8(15)16)9(17)11-3-4-13/h4,6H,1-3,5,10H2,(H,11,17)(H,12,14)(H,15,16)
InChIKeyHHPDBBYHDRTYSS-UHFFFAOYSA-N
MW245.23 g/mol
LogP-2.39
Rot. Bonds8

About 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid

4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid (PubChem CID 155353905) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid.

Molecular Properties

Compound Name4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid
PubChem CID155353905
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid
SMILESNCC(=O)NC(CCC(=O)O)C(=O)NCC=O
InChIInChI=1S/C9H15N3O5/c10-5-7(14)12-6(1-2-8(15)16)9(17)11-3-4-13/h4,6H,1-3,5,10H2,(H,11,17)(H,12,14)(H,15,16)
InChIKeyHHPDBBYHDRTYSS-UHFFFAOYSA-N
XLogP-2.39
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
CID 91405753
2-[[2-[[2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
CID 18486039
2-[[2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid
CID 18486799
2-[[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]acetic acid
CID 7020055
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-3-carboxy-1-oxo-1-(2-oxoethylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 77068220
4-[(2-aminoacetyl)amino]-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 18220986
(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane
CID 145215889
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18487621
2-[[4-amino-2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 18486779
2-[[2-[[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetyl]amino]pentanedioic acid
CID 18485681
2-[[4-amino-2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 18486777
2-[[2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-sulfanylpropanoyl]amino]butanedioic acid
CID 18486817

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid?
The IUPAC name of 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid (CID 155353905) is 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid.
What is the SMILES notation for 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid?
The canonical SMILES for 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid is NCC(=O)NC(CCC(=O)O)C(=O)NCC=O.
What is the InChIKey of 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid?
The InChIKey is HHPDBBYHDRTYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c10-5-7(14)12-6(1-2-8(15)16)9(17)11-3-4-13/h4,6H,1-3,5,10H2,(H,11,17)(H,12,14)(H,15,16).
What are the key properties of 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid?
4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid has a molecular weight of 245.23 g/mol, XLogP of -2.39, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid is sourced from PubChem (CID 155353905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).