(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid

C8H18N2O5S — CID 107564844

IUPAC(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)NCCOC)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-3-4-7(8(11)12)10-16(13,14)9-5-6-15-2/h7,9-10H,3-6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyASSHTSAUGKUGHV-SSDOTTSWSA-N
MW254.31 g/mol
LogP-0.69
Rot. Bonds9

About (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid

(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid (PubChem CID 107564844) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
PubChem CID107564844
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)NCCOC)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-3-4-7(8(11)12)10-16(13,14)9-5-6-15-2/h7,9-10H,3-6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyASSHTSAUGKUGHV-SSDOTTSWSA-N
XLogP-0.69
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.69
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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Related Compounds

3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
CID 114814837
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
3-amino-2-(butylsulfamoylamino)propanoic acid
CID 57183749
2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
CID 62479156
2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
CID 114533415
benzene;2-(methanesulfonamido)pentanoic acid
CID 68896483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid (CID 107564844) is (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid is CCC[C@@H](NS(=O)(=O)NCCOC)C(=O)O.
What is the InChIKey of (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid?
The InChIKey is ASSHTSAUGKUGHV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-3-4-7(8(11)12)10-16(13,14)9-5-6-15-2/h7,9-10H,3-6H2,1-2H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid?
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid has a molecular weight of 254.31 g/mol, XLogP of -0.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 107564844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).