ethyl (2S)-2-amino-5-oxopentanoate

C7H13NO3 — CID 87968678

IUPACethyl (2S)-2-amino-5-oxopentanoate
SMILESCCOC(=O)[C@@H](N)CCC=O
InChIInChI=1S/C7H13NO3/c1-2-11-7(10)6(8)4-3-5-9/h5-6H,2-4,8H2,1H3/t6-/m0/s1
InChIKeyPRBTWOAJHNBWTO-LURJTMIESA-N
MW159.18 g/mol
LogP-0.14
Rot. Bonds5

About ethyl (2S)-2-amino-5-oxopentanoate

ethyl (2S)-2-amino-5-oxopentanoate (PubChem CID 87968678) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl (2S)-2-amino-5-oxopentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-5-oxopentanoate
PubChem CID87968678
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl (2S)-2-amino-5-oxopentanoate
SMILESCCOC(=O)[C@@H](N)CCC=O
InChIInChI=1S/C7H13NO3/c1-2-11-7(10)6(8)4-3-5-9/h5-6H,2-4,8H2,1H3/t6-/m0/s1
InChIKeyPRBTWOAJHNBWTO-LURJTMIESA-N
XLogP-0.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-5-oxopentanoate?
The IUPAC name of ethyl (2S)-2-amino-5-oxopentanoate (CID 87968678) is ethyl (2S)-2-amino-5-oxopentanoate.
What is the SMILES notation for ethyl (2S)-2-amino-5-oxopentanoate?
The canonical SMILES for ethyl (2S)-2-amino-5-oxopentanoate is CCOC(=O)[C@@H](N)CCC=O.
What is the InChIKey of ethyl (2S)-2-amino-5-oxopentanoate?
The InChIKey is PRBTWOAJHNBWTO-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-7(10)6(8)4-3-5-9/h5-6H,2-4,8H2,1H3/t6-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-5-oxopentanoate?
ethyl (2S)-2-amino-5-oxopentanoate has a molecular weight of 159.18 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-5-oxopentanoate is sourced from PubChem (CID 87968678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).