(2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid

C7H15N3O4S — CID 174670463

IUPAC(2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid
SMILESN[C@@H](CCN(C1CC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C7H15N3O4S/c8-6(7(11)12)3-4-10(5-1-2-5)15(9,13)14/h5-6H,1-4,8H2,(H,11,12)(H2,9,13,14)/t6-/m0/s1
InChIKeyMVQRNVWOPGUPFU-LURJTMIESA-N
MW237.28 g/mol
LogP-1.54
Rot. Bonds6

About (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid

(2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid (PubChem CID 174670463) has the molecular formula C7H15N3O4S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid
PubChem CID174670463
Molecular FormulaC7H15N3O4S
Molecular Weight237.28 g/mol
Exact Mass237.08
IUPAC Name(2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid
SMILESN[C@@H](CCN(C1CC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C7H15N3O4S/c8-6(7(11)12)3-4-10(5-1-2-5)15(9,13)14/h5-6H,1-4,8H2,(H,11,12)(H2,9,13,14)/t6-/m0/s1
InChIKeyMVQRNVWOPGUPFU-LURJTMIESA-N
XLogP-1.54
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[cycloheptyl(methyl)amino]butanoic acid
CID 63055281
(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 165445053
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-3-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl(sulfamoyl)amino]-2-aminopropanoic acid
CID 174658799
3-[2-[cyclopropyl(sulfamoyl)amino]ethyl]azetidine
CID 163275416
2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid
CID 87289653
2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
CID 63030187
1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
CID 79013643
(2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
CID 67154842
2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
CID 67154841
2,6-diaminoheptanedioic acid
CID 865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid (CID 174670463) is (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid is N[C@@H](CCN(C1CC1)S(N)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid?
The InChIKey is MVQRNVWOPGUPFU-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O4S/c8-6(7(11)12)3-4-10(5-1-2-5)15(9,13)14/h5-6H,1-4,8H2,(H,11,12)(H2,9,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid?
(2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid has a molecular weight of 237.28 g/mol, XLogP of -1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[cyclopropyl(sulfamoyl)amino]butanoic acid is sourced from PubChem (CID 174670463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).