5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid

C10H19N3O5 — CID 177369489

IUPAC5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid
SMILESCNCC(=O)NC(CCC(=O)O)C(=O)NCCO
InChIInChI=1S/C10H19N3O5/c1-11-6-8(15)13-7(2-3-9(16)17)10(18)12-4-5-14/h7,11,14H,2-6H2,1H3,(H,12,18)(H,13,15)(H,16,17)
InChIKeyDPOIXLFABYUZOF-UHFFFAOYSA-N
MW261.28 g/mol
LogP-2.34
Rot. Bonds9

About 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid

5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid (PubChem CID 177369489) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid
PubChem CID177369489
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid
SMILESCNCC(=O)NC(CCC(=O)O)C(=O)NCCO
InChIInChI=1S/C10H19N3O5/c1-11-6-8(15)13-7(2-3-9(16)17)10(18)12-4-5-14/h7,11,14H,2-6H2,1H3,(H,12,18)(H,13,15)(H,16,17)
InChIKeyDPOIXLFABYUZOF-UHFFFAOYSA-N
XLogP-2.34
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-2.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane
CID 145215889
4-amino-5-[[2-[[4-carboxy-1-(1-carboxyethylamino)-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265332
2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]hexanedioic acid
CID 147834087
N-ethyl-2-(methylamino)acetamide;4-[(2-formamidoacetyl)amino]-5-[(3-methyl-2-oxobutyl)amino]-5-oxopentanoic acid;methanethiol
CID 177034069
(4S)-4-(dodecanoylamino)-5-(dodecylamino)-5-oxopentanoic acid
CID 71347197
(4S)-5-[[(1S)-1-carboxyethyl]amino]-4-[[2-[[(2S)-3-carboxy-2-(pent-4-ynoylamino)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 166711987
4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
CID 89197770
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]pentanedioic acid
CID 145453586
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18487621
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18265337
4-[(2-amino-3-hydroxypropanoyl)amino]-5-(carboxymethylamino)-5-oxopentanoic acid
CID 18223886
(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
CID 168928235

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid (CID 177369489) is 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid is CNCC(=O)NC(CCC(=O)O)C(=O)NCCO.
What is the InChIKey of 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is DPOIXLFABYUZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-11-6-8(15)13-7(2-3-9(16)17)10(18)12-4-5-14/h7,11,14H,2-6H2,1H3,(H,12,18)(H,13,15)(H,16,17).
What are the key properties of 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid?
5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 261.28 g/mol, XLogP of -2.34, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 177369489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).