(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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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).