(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid

C9H15NO4 — CID 71377128

IUPAC(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid
SMILESC=CCOC(=O)CCC[C@H](N)C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-6-14-8(11)5-3-4-7(10)9(12)13/h2,7H,1,3-6,10H2,(H,12,13)/t7-/m0/s1
InChIKeyWJIJKWMOOLTXMX-ZETCQYMHSA-N
MW201.22 g/mol
LogP0.30
Rot. Bonds7

About (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid

(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid (PubChem CID 71377128) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid
PubChem CID71377128
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid
SMILESC=CCOC(=O)CCC[C@H](N)C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-6-14-8(11)5-3-4-7(10)9(12)13/h2,7H,1,3-6,10H2,(H,12,13)/t7-/m0/s1
InChIKeyWJIJKWMOOLTXMX-ZETCQYMHSA-N
XLogP0.30
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-oxo-4-prop-2-enoxybutanoic acid;hydrochloride
CID 71340217
bis(prop-2-enyl) (2R)-2-aminopentanedioate
CID 87603171
(2R)-2-aminohept-6-enoic acid
CID 71352792
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
prop-2-enyl 4-hydroxybutanoate
CID 11367059
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-7-methoxy-7-oxoheptanoic acid
CID 10679200
5-oxo-5-prop-2-enoxypentanoate
CID 22245436
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid?
The IUPAC name of (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid (CID 71377128) is (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid?
The canonical SMILES for (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid is C=CCOC(=O)CCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid?
The InChIKey is WJIJKWMOOLTXMX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-6-14-8(11)5-3-4-7(10)9(12)13/h2,7H,1,3-6,10H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid?
(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid is sourced from PubChem (CID 71377128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).