(2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid

C7H18N4O4S — CID 89124075

IUPAC(2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid
SMILESNCCCNS(=O)(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C7H18N4O4S/c8-3-1-4-10-16(14,15)11-5-2-6(9)7(12)13/h6,10-11H,1-5,8-9H2,(H,12,13)/t6-/m0/s1
InChIKeyQTNONLCWBASUJK-LURJTMIESA-N
MW254.31 g/mol
LogP-2.44
Rot. Bonds9

About (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid

(2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid (PubChem CID 89124075) has the molecular formula C7H18N4O4S and a molecular weight of 254.31 g/mol. Its IUPAC name is (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid
PubChem CID89124075
Molecular FormulaC7H18N4O4S
Molecular Weight254.31 g/mol
Exact Mass254.10
IUPAC Name(2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid
SMILESNCCCNS(=O)(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C7H18N4O4S/c8-3-1-4-10-16(14,15)11-5-2-6(9)7(12)13/h6,10-11H,1-5,8-9H2,(H,12,13)/t6-/m0/s1
InChIKeyQTNONLCWBASUJK-LURJTMIESA-N
XLogP-2.44
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-2.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
2,4-Diaminobutyric acid, D-
CID 638153
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123541
2-Amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123542
(3S)-3-Amino-3-carboxypropan-1-aminium
CID 138398292
(2S)-2,4-diamino(411C)butanoic acid
CID 449917
2,4-diamino(411C)butanoic acid
CID 450559
(2R)-4-amino-4-oxo-2-(sulfoamino)butanoic acid
CID 11356297
(2S)-4-amino-4-oxo-2-(sulfoamino)butanoic acid
CID 11447178
(2S)-2-amino-4-(cyclohexylsulfamoylamino)butanoic acid
CID 70945655
2-Amino-4-(cyclohexylsulfamoylamino)butanoic acid
CID 70945659

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid (CID 89124075) is (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid is NCCCNS(=O)(=O)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid?
The InChIKey is QTNONLCWBASUJK-LURJTMIESA-N. The full InChI is InChI=1S/C7H18N4O4S/c8-3-1-4-10-16(14,15)11-5-2-6(9)7(12)13/h6,10-11H,1-5,8-9H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid?
(2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid has a molecular weight of 254.31 g/mol, XLogP of -2.44, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(3-aminopropylsulfamoylamino)butanoic acid is sourced from PubChem (CID 89124075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).