(2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid

C10H20N2O5 — CID 121488177

IUPAC(2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid
SMILESCOCCOC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-16-6-7-17-10(15)12-5-3-2-4-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyXNGDIOBPVDBNQH-QMMMGPOBSA-N
MW248.28 g/mol
LogP-0.06
Rot. Bonds9

About (2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid

(2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid (PubChem CID 121488177) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid
PubChem CID121488177
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name(2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid
SMILESCOCCOC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-16-6-7-17-10(15)12-5-3-2-4-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyXNGDIOBPVDBNQH-QMMMGPOBSA-N
XLogP-0.06
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid (CID 121488177) is (2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid is COCCOC(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid?
The InChIKey is XNGDIOBPVDBNQH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-16-6-7-17-10(15)12-5-3-2-4-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid?
(2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 121488177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).