[(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate

C10H17NO5 — CID 166065472

IUPAC[(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate
SMILESCC(O)CC/C(=C\OC(=O)C(C)O)C(N)=O
InChIInChI=1S/C10H17NO5/c1-6(12)3-4-8(9(11)14)5-16-10(15)7(2)13/h5-7,12-13H,3-4H2,1-2H3,(H2,11,14)/b8-5+
InChIKeyHFTYEBSNDPBYKW-VMPITWQZSA-N
MW231.25 g/mol
LogP-0.56
Rot. Bonds6

About [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate

[(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate (PubChem CID 166065472) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate
PubChem CID166065472
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name[(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate
SMILESCC(O)CC/C(=C\OC(=O)C(C)O)C(N)=O
InChIInChI=1S/C10H17NO5/c1-6(12)3-4-8(9(11)14)5-16-10(15)7(2)13/h5-7,12-13H,3-4H2,1-2H3,(H2,11,14)/b8-5+
InChIKeyHFTYEBSNDPBYKW-VMPITWQZSA-N
XLogP-0.56
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-ethylidene-5-hydroxyhexanoic acid
CID 87271164
(2Z)-2-ethylidene-4-methylpentanamide
CID 55290793
2-methylbuta-1,3-dienyl 2-hydroxypropanoate
CID 174994759
2,8-dihydroxynonan-5-one
CID 174799972
hexanediamide;propane-1,2-diol
CID 175159738
4-hydroxy-N-(2-methylpropoxy)pentanamide
CID 82721233
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium
CID 177415115
(5S)-5-hydroxyhexan-2-one
CID 11491928
2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
CID 87119141
5-hydroxy-2-oxohexanal
CID 54288089
4-(4-hydroxypentanoyloxy)butanoic acid
CID 57030364

Frequently Asked Questions

What is the IUPAC name of [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate?
The IUPAC name of [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate (CID 166065472) is [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate.
What is the SMILES notation for [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate?
The canonical SMILES for [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate is CC(O)CC/C(=C\OC(=O)C(C)O)C(N)=O.
What is the InChIKey of [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate?
The InChIKey is HFTYEBSNDPBYKW-VMPITWQZSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(12)3-4-8(9(11)14)5-16-10(15)7(2)13/h5-7,12-13H,3-4H2,1-2H3,(H2,11,14)/b8-5+.
What are the key properties of [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate?
[(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate has a molecular weight of 231.25 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-carbamoyl-5-hydroxyhex-1-enyl] 2-hydroxypropanoate is sourced from PubChem (CID 166065472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).