(2R)-2-[(2-chloroacetyl)amino]dodecanoic acid

C14H26ClNO3 — CID 10541619

IUPAC(2R)-2-[(2-chloroacetyl)amino]dodecanoic acid
SMILESCCCCCCCCCC[C@@H](NC(=O)CCl)C(=O)O
InChIInChI=1S/C14H26ClNO3/c1-2-3-4-5-6-7-8-9-10-12(14(18)19)16-13(17)11-15/h12H,2-11H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyVOSSDAPBEXHHKK-GFCCVEGCSA-N
MW291.82 g/mol
LogP3.33
Rot. Bonds12

About (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid

(2R)-2-[(2-chloroacetyl)amino]dodecanoic acid (PubChem CID 10541619) has the molecular formula C14H26ClNO3 and a molecular weight of 291.82 g/mol. Its IUPAC name is (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chloroacetyl)amino]dodecanoic acid
PubChem CID10541619
Molecular FormulaC14H26ClNO3
Molecular Weight291.82 g/mol
Exact Mass291.16
IUPAC Name(2R)-2-[(2-chloroacetyl)amino]dodecanoic acid
SMILESCCCCCCCCCC[C@@H](NC(=O)CCl)C(=O)O
InChIInChI=1S/C14H26ClNO3/c1-2-3-4-5-6-7-8-9-10-12(14(18)19)16-13(17)11-15/h12H,2-11H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyVOSSDAPBEXHHKK-GFCCVEGCSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid?
The IUPAC name of (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid (CID 10541619) is (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid.
What is the SMILES notation for (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid?
The canonical SMILES for (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid is CCCCCCCCCC[C@@H](NC(=O)CCl)C(=O)O.
What is the InChIKey of (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid?
The InChIKey is VOSSDAPBEXHHKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26ClNO3/c1-2-3-4-5-6-7-8-9-10-12(14(18)19)16-13(17)11-15/h12H,2-11H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid?
(2R)-2-[(2-chloroacetyl)amino]dodecanoic acid has a molecular weight of 291.82 g/mol, XLogP of 3.33, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloroacetyl)amino]dodecanoic acid is sourced from PubChem (CID 10541619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).