CID 59898064

C11H18FN2O2 — CID 59898064

IUPAC—
SMILESC=C(C)NCCC/C(F)=C/[C@@](C)([NH])C(=O)O
InChIInChI=1S/C11H18FN2O2/c1-8(2)14-6-4-5-9(12)7-11(3,13)10(15)16/h7,13-14H,1,4-6H2,2-3H3,(H,15,16)/b9-7-/t11-/m1/s1
InChIKeyDRSWQBUWBLXRFQ-GXMKHXEJSA-N
MW229.27 g/mol
LogP1.87
Rot. Bonds7

About CID 59898064

CID 59898064 (PubChem CID 59898064) has the molecular formula C11H18FN2O2 and a molecular weight of 229.27 g/mol.

Molecular Properties

Compound NameCID 59898064
PubChem CID59898064
Molecular FormulaC11H18FN2O2
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name—
SMILESC=C(C)NCCC/C(F)=C/[C@@](C)([NH])C(=O)O
InChIInChI=1S/C11H18FN2O2/c1-8(2)14-6-4-5-9(12)7-11(3,13)10(15)16/h7,13-14H,1,4-6H2,2-3H3,(H,15,16)/b9-7-/t11-/m1/s1
InChIKeyDRSWQBUWBLXRFQ-GXMKHXEJSA-N
XLogP1.87
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 18407922
7-[3-(2-methylprop-2-enoylamino)propylamino]-7-oxoheptanoic acid
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N-(3-acetamidopropyl)acetamide
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2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
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3-(6-acetamidohexanoylamino)-2-hydroxy-2-methylpropanoic acid
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4-(2,4-dimethylpent-4-enoylamino)butanoic acid
CID 120684446

Frequently Asked Questions

What is the IUPAC name of CID 59898064?
The IUPAC name of CID 59898064 (CID 59898064) is not available.
What is the SMILES notation for CID 59898064?
The canonical SMILES for CID 59898064 is C=C(C)NCCC/C(F)=C/[C@@](C)([NH])C(=O)O.
What is the InChIKey of CID 59898064?
The InChIKey is DRSWQBUWBLXRFQ-GXMKHXEJSA-N. The full InChI is InChI=1S/C11H18FN2O2/c1-8(2)14-6-4-5-9(12)7-11(3,13)10(15)16/h7,13-14H,1,4-6H2,2-3H3,(H,15,16)/b9-7-/t11-/m1/s1.
What are the key properties of CID 59898064?
CID 59898064 has a molecular weight of 229.27 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59898064 is sourced from PubChem (CID 59898064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).