2-amino-4-(cyclopropylsulfonylamino)butanoic acid

C7H14N2O4S — CID 67154506

IUPAC2-amino-4-(cyclopropylsulfonylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)C1CC1)C(=O)O
InChIInChI=1S/C7H14N2O4S/c8-6(7(10)11)3-4-9-14(12,13)5-1-2-5/h5-6,9H,1-4,8H2,(H,10,11)
InChIKeyLKOOJAPUVRPGHB-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.13
Rot. Bonds6

About 2-amino-4-(cyclopropylsulfonylamino)butanoic acid

2-amino-4-(cyclopropylsulfonylamino)butanoic acid (PubChem CID 67154506) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-amino-4-(cyclopropylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(cyclopropylsulfonylamino)butanoic acid
PubChem CID67154506
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-amino-4-(cyclopropylsulfonylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)C1CC1)C(=O)O
InChIInChI=1S/C7H14N2O4S/c8-6(7(10)11)3-4-9-14(12,13)5-1-2-5/h5-6,9H,1-4,8H2,(H,10,11)
InChIKeyLKOOJAPUVRPGHB-UHFFFAOYSA-N
XLogP-1.13
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclopropylsulfonylamino)butanoic acid?
The IUPAC name of 2-amino-4-(cyclopropylsulfonylamino)butanoic acid (CID 67154506) is 2-amino-4-(cyclopropylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(cyclopropylsulfonylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(cyclopropylsulfonylamino)butanoic acid is NC(CCNS(=O)(=O)C1CC1)C(=O)O.
What is the InChIKey of 2-amino-4-(cyclopropylsulfonylamino)butanoic acid?
The InChIKey is LKOOJAPUVRPGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c8-6(7(10)11)3-4-9-14(12,13)5-1-2-5/h5-6,9H,1-4,8H2,(H,10,11).
What are the key properties of 2-amino-4-(cyclopropylsulfonylamino)butanoic acid?
2-amino-4-(cyclopropylsulfonylamino)butanoic acid has a molecular weight of 222.27 g/mol, XLogP of -1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclopropylsulfonylamino)butanoic acid is sourced from PubChem (CID 67154506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).