(2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid

C10H15NO7 — CID 175510261

IUPAC(2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)OC(=O)CCCC(=O)O)C(=O)O
InChIInChI=1S/C10H15NO7/c11-6(10(16)17)4-5-9(15)18-8(14)3-1-2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,16,17)/t6-/m0/s1
InChIKeyRKBSCYPDNADFBJ-LURJTMIESA-N
MW261.23 g/mol
LogP-0.50
Rot. Bonds8

About (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid

(2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid (PubChem CID 175510261) has the molecular formula C10H15NO7 and a molecular weight of 261.23 g/mol. Its IUPAC name is (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid
PubChem CID175510261
Molecular FormulaC10H15NO7
Molecular Weight261.23 g/mol
Exact Mass261.08
IUPAC Name(2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)OC(=O)CCCC(=O)O)C(=O)O
InChIInChI=1S/C10H15NO7/c11-6(10(16)17)4-5-9(15)18-8(14)3-1-2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,16,17)/t6-/m0/s1
InChIKeyRKBSCYPDNADFBJ-LURJTMIESA-N
XLogP-0.50
TPSA143.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-0.50
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-nonanoyloxy-5-oxopentanoic acid
CID 175416934
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
sodium;(2S)-2-amino-5-dodecanoyloxy-5-oxopentanoic acid;hydride;hydrochloride
CID 175545509
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid (CID 175510261) is (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid is N[C@@H](CCC(=O)OC(=O)CCCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid?
The InChIKey is RKBSCYPDNADFBJ-LURJTMIESA-N. The full InChI is InChI=1S/C10H15NO7/c11-6(10(16)17)4-5-9(15)18-8(14)3-1-2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid?
(2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid has a molecular weight of 261.23 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(4-carboxybutanoyloxy)-5-oxopentanoic acid is sourced from PubChem (CID 175510261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).