(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium

C8H13CrNO6 — CID 174924708

IUPAC(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium
SMILESCC(O)C(=O)OC(=O)CC[C@H](N)C(=O)O.[Cr]
InChIInChI=1S/C8H13NO6.Cr/c1-4(10)8(14)15-6(11)3-2-5(9)7(12)13;/h4-5,10H,2-3,9H2,1H3,(H,12,13);/t4?,5-;/m0./s1
InChIKeyPEJUKAGEFPIZDW-YKXIHYLHSA-N
MW271.19 g/mol
LogP-1.37
Rot. Bonds5

About (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium

(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium (PubChem CID 174924708) has the molecular formula C8H13CrNO6 and a molecular weight of 271.19 g/mol. Its IUPAC name is (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium.

Molecular Properties

Compound Name(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium
PubChem CID174924708
Molecular FormulaC8H13CrNO6
Molecular Weight271.19 g/mol
Exact Mass271.01
IUPAC Name(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium
SMILESCC(O)C(=O)OC(=O)CC[C@H](N)C(=O)O.[Cr]
InChIInChI=1S/C8H13NO6.Cr/c1-4(10)8(14)15-6(11)3-2-5(9)7(12)13;/h4-5,10H,2-3,9H2,1H3,(H,12,13);/t4?,5-;/m0./s1
InChIKeyPEJUKAGEFPIZDW-YKXIHYLHSA-N
XLogP-1.37
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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
(2S)-2-amino-5-(1-carboxyethoxy)-5-oxopentanoic acid
CID 54458839
2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
CID 87119141
(2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid
CID 175510261
(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid
CID 175416934
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
2-hydroxypropanoyl 4-(2-hydroxypropanoylperoxy)-4-oxobutanoate
CID 154267844
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid
CID 87638032
(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid
CID 87765062
sodium;(2S)-2-amino-5-dodecanoyloxy-5-oxopentanoic acid;hydride;hydrochloride
CID 175545509

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium?
The IUPAC name of (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium (CID 174924708) is (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium.
What is the SMILES notation for (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium?
The canonical SMILES for (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium is CC(O)C(=O)OC(=O)CC[C@H](N)C(=O)O.[Cr].
What is the InChIKey of (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium?
The InChIKey is PEJUKAGEFPIZDW-YKXIHYLHSA-N. The full InChI is InChI=1S/C8H13NO6.Cr/c1-4(10)8(14)15-6(11)3-2-5(9)7(12)13;/h4-5,10H,2-3,9H2,1H3,(H,12,13);/t4?,5-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium?
(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium has a molecular weight of 271.19 g/mol, XLogP of -1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium is sourced from PubChem (CID 174924708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).