(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid

C8H13NO6 — CID 54458839

IUPAC(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid
SMILESCC(OC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H13NO6/c1-4(7(11)12)15-6(10)3-2-5(9)8(13)14/h4-5H,2-3,9H2,1H3,(H,11,12)(H,13,14)/t4?,5-/m0/s1
InChIKeyXADYQPOTVKZPNK-AKGZTFGVSA-N
MW219.19 g/mol
LogP-0.81
Rot. Bonds6

About (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid

(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid (PubChem CID 54458839) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid
PubChem CID54458839
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid
SMILESCC(OC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C8H13NO6/c1-4(7(11)12)15-6(10)3-2-5(9)8(13)14/h4-5H,2-3,9H2,1H3,(H,11,12)(H,13,14)/t4?,5-/m0/s1
InChIKeyXADYQPOTVKZPNK-AKGZTFGVSA-N
XLogP-0.81
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tetrasodium;tetrakis(2-[(4S)-4-amino-4-carboxybutanoyl]oxypropanedioic acid);hydride
CID 172999198
(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium
CID 174924708
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 153317777
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid
CID 87765062
(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid
CID 175519244
disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride
CID 173377229
(2S)-2-amino-5-(4-methyl-2-oxopentanoyl)oxy-5-oxopentanoic acid
CID 87663491
2-[(4S)-4-amino-4-carboxybutanoyl]oxyethyl-(fluoromethyl)-dimethylazanium
CID 170721404
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-(12-chlorododecanoyloxy)propanoic acid
CID 156644042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid (CID 54458839) is (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid is CC(OC(=O)CC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid?
The InChIKey is XADYQPOTVKZPNK-AKGZTFGVSA-N. The full InChI is InChI=1S/C8H13NO6/c1-4(7(11)12)15-6(10)3-2-5(9)8(13)14/h4-5H,2-3,9H2,1H3,(H,11,12)(H,13,14)/t4?,5-/m0/s1.
What are the key properties of (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid?
(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid has a molecular weight of 219.19 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid is sourced from PubChem (CID 54458839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).