2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid

C14H24N6O7S — CID 134258099

About 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid

2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid (PubChem CID 134258099) has the molecular formula C14H24N6O7S and a molecular weight of 420.45 g/mol. Its IUPAC name is 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

• Compound Name: 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid
• PubChem CID: 134258099
• Molecular Formula: C14H24N6O7S
• Molecular Weight: 420.45 g/mol
• Exact Mass: 420.14
• IUPAC Name: 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid
• SMILES: CC(O)C(NS(=O)(=O)N[C@@H](CC(N)=O)c1nnc([C@@H](N)CC2CC2)o1)C(=O)O
• InChI: InChI=1S/C14H24N6O7S/c1-6(21)11(14(23)24)20-28(25,26)19-9(5-10(16)22)13-18-17-12(27-13)8(15)4-7-2-3-7/h6-9,11,19-21H,2-5,15H2,1H3,(H2,16,22)(H,23,24)/t6?,8-,9-,11?/m0/s1
• InChIKey: XXNRKZMXIIXWPK-DREYAMPFSA-N
• XLogP: -1.96
• TPSA: 223.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.45
LogP ≤ 5	-1.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid?

The IUPAC name of 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid (CID 134258099) is 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid.

What is the SMILES notation for 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid?

The canonical SMILES for 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid is CC(O)C(NS(=O)(=O)N[C@@H](CC(N)=O)c1nnc([C@@H](N)CC2CC2)o1)C(=O)O.

What is the InChIKey of 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid?

The InChIKey is XXNRKZMXIIXWPK-DREYAMPFSA-N. The full InChI is InChI=1S/C14H24N6O7S/c1-6(21)11(14(23)24)20-28(25,26)19-9(5-10(16)22)13-18-17-12(27-13)8(15)4-7-2-3-7/h6-9,11,19-21H,2-5,15H2,1H3,(H2,16,22)(H,23,24)/t6?,8-,9-,11?/m0/s1.

What are the key properties of 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid?

2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid has a molecular weight of 420.45 g/mol, XLogP of -1.96, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1S)-3-amino-1-[5-[(1S)-1-amino-2-cyclopropylethyl]-1,3,4-oxadiazol-2-yl]-3-oxopropyl]sulfamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 134258099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).