(3R)-3-(carboxymethylamino)decanoic acid

C12H23NO4 — CID 137333766

IUPAC(3R)-3-(carboxymethylamino)decanoic acid
SMILESCCCCCCC[C@H](CC(=O)O)NCC(=O)O
InChIInChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyDKLSSPDDVJYWNG-SNVBAGLBSA-N
MW245.32 g/mol
LogP1.86
Rot. Bonds11

About (3R)-3-(carboxymethylamino)decanoic acid

(3R)-3-(carboxymethylamino)decanoic acid (PubChem CID 137333766) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3R)-3-(carboxymethylamino)decanoic acid.

Molecular Properties

Compound Name(3R)-3-(carboxymethylamino)decanoic acid
PubChem CID137333766
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name(3R)-3-(carboxymethylamino)decanoic acid
SMILESCCCCCCC[C@H](CC(=O)O)NCC(=O)O
InChIInChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyDKLSSPDDVJYWNG-SNVBAGLBSA-N
XLogP1.86
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carboxymethylamino)decanoic acid?
The IUPAC name of (3R)-3-(carboxymethylamino)decanoic acid (CID 137333766) is (3R)-3-(carboxymethylamino)decanoic acid.
What is the SMILES notation for (3R)-3-(carboxymethylamino)decanoic acid?
The canonical SMILES for (3R)-3-(carboxymethylamino)decanoic acid is CCCCCCC[C@H](CC(=O)O)NCC(=O)O.
What is the InChIKey of (3R)-3-(carboxymethylamino)decanoic acid?
The InChIKey is DKLSSPDDVJYWNG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-3-(carboxymethylamino)decanoic acid?
(3R)-3-(carboxymethylamino)decanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.86, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carboxymethylamino)decanoic acid is sourced from PubChem (CID 137333766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).