(2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid

C11H21N3O4 — CID 18648827

IUPAC(2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid
SMILESNCCCC[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H21N3O4/c12-4-2-1-3-9(10(15)16)13-11(17)14-5-7-18-8-6-14/h9H,1-8,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyCQURPSXHIIJQSZ-VIFPVBQESA-N
MW259.31 g/mol
LogP-0.39
Rot. Bonds6

About (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid

(2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid (PubChem CID 18648827) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid
PubChem CID18648827
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid
SMILESNCCCC[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H21N3O4/c12-4-2-1-3-9(10(15)16)13-11(17)14-5-7-18-8-6-14/h9H,1-8,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyCQURPSXHIIJQSZ-VIFPVBQESA-N
XLogP-0.39
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid (CID 18648827) is (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid is NCCCC[C@H](NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid?
The InChIKey is CQURPSXHIIJQSZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O4/c12-4-2-1-3-9(10(15)16)13-11(17)14-5-7-18-8-6-14/h9H,1-8,12H2,(H,13,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid?
(2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(morpholine-4-carbonylamino)hexanoic acid is sourced from PubChem (CID 18648827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).