(4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid

C8H16N2O5S — CID 123329075

IUPAC(4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid
SMILESCCCNS(=O)(=O)C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-2-5-10-16(14,15)8(13)6(9)3-4-7(11)12/h6,10H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyBUEAKGVBGDPBCV-LURJTMIESA-N
MW252.29 g/mol
LogP-0.97
Rot. Bonds7

About (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid

(4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid (PubChem CID 123329075) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid
PubChem CID123329075
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name(4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid
SMILESCCCNS(=O)(=O)C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-2-5-10-16(14,15)8(13)6(9)3-4-7(11)12/h6,10H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyBUEAKGVBGDPBCV-LURJTMIESA-N
XLogP-0.97
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid
CID 73212695
(4S)-5-fluorooxy-4-(octylsulfonylamino)-5-oxopentanoic acid
CID 172738603
N-(2-aminoethanesulfonyl)-(s)-glutamic acid
CID 166637349
4-Amino-2-(butylsulfonylamino)butanoic acid
CID 18322901
(2S)-2-amino-5-(2-aminoethylsulfonyloxy)-5-oxopentanoic acid
CID 22812514
(2S)-2-amino-5-[2-(methylamino)ethylsulfonyloxy]-5-oxopentanoic acid
CID 22819810
2-(Methanesulfonamido)pentanedioic acid
CID 23136258
(2S)-5-amino-2-(butylsulfonylamino)-5-oxopentanoic acid
CID 28121573
(2S)-2-(methanesulfonamido)pentanedioic acid
CID 53362649
(2S)-2-(butylsulfonylamino)pentanedioic acid
CID 53362712
(2S)-4-Amino-2-[(butylsulfonyl)amino]butanoic acid
CID 53782033
(4S)-4-amino-5-(2-aminoethylsulfonyloxy)-5-oxopentanoic acid
CID 53883492

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid?
The IUPAC name of (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid (CID 123329075) is (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid is CCCNS(=O)(=O)C(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid?
The InChIKey is BUEAKGVBGDPBCV-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-2-5-10-16(14,15)8(13)6(9)3-4-7(11)12/h6,10H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid?
(4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid has a molecular weight of 252.29 g/mol, XLogP of -0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid is sourced from PubChem (CID 123329075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).