(2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid

C8H11NO5 — CID 87554473

IUPAC(2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid
SMILESC=CC(=O)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C8H11NO5/c1-2-6(10)14-7(11)4-3-5(9)8(12)13/h2,5H,1,3-4,9H2,(H,12,13)/t5-/m0/s1
InChIKeyHTDQAHSLPNAYEW-YFKPBYRVSA-N
MW201.18 g/mol
LogP-0.57
Rot. Bonds5

About (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid

(2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid (PubChem CID 87554473) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid
PubChem CID87554473
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid
SMILESC=CC(=O)OC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C8H11NO5/c1-2-6(10)14-7(11)4-3-5(9)8(12)13/h2,5H,1,3-4,9H2,(H,12,13)/t5-/m0/s1
InChIKeyHTDQAHSLPNAYEW-YFKPBYRVSA-N
XLogP-0.57
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid (CID 87554473) is (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid is C=CC(=O)OC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid?
The InChIKey is HTDQAHSLPNAYEW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11NO5/c1-2-6(10)14-7(11)4-3-5(9)8(12)13/h2,5H,1,3-4,9H2,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid?
(2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid has a molecular weight of 201.18 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-5-prop-2-enoyloxypentanoic acid is sourced from PubChem (CID 87554473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).