(3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one

C15H29N3O3 — CID 90254109

IUPAC(3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one
SMILESCC(=O)[C@H](C)NCC(CN[C@@H](C)C(C)=O)N[C@@H](C)C(C)=O
InChIInChI=1S/C15H29N3O3/c1-9(12(4)19)16-7-15(18-11(3)14(6)21)8-17-10(2)13(5)20/h9-11,15-18H,7-8H2,1-6H3/t9-,10-,11-/m0/s1
InChIKeyZNQXIEAVYLOUBN-DCAQKATOSA-N
MW299.42 g/mol
LogP0.06
Rot. Bonds11

About (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one

(3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one (PubChem CID 90254109) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one.

Molecular Properties

Compound Name(3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one
PubChem CID90254109
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name(3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one
SMILESCC(=O)[C@H](C)NCC(CN[C@@H](C)C(C)=O)N[C@@H](C)C(C)=O
InChIInChI=1S/C15H29N3O3/c1-9(12(4)19)16-7-15(18-11(3)14(6)21)8-17-10(2)13(5)20/h9-11,15-18H,7-8H2,1-6H3/t9-,10-,11-/m0/s1
InChIKeyZNQXIEAVYLOUBN-DCAQKATOSA-N
XLogP0.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one?
The IUPAC name of (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one (CID 90254109) is (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one.
What is the SMILES notation for (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one?
The canonical SMILES for (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one is CC(=O)[C@H](C)NCC(CN[C@@H](C)C(C)=O)N[C@@H](C)C(C)=O.
What is the InChIKey of (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one?
The InChIKey is ZNQXIEAVYLOUBN-DCAQKATOSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-9(12(4)19)16-7-15(18-11(3)14(6)21)8-17-10(2)13(5)20/h9-11,15-18H,7-8H2,1-6H3/t9-,10-,11-/m0/s1.
What are the key properties of (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one?
(3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one has a molecular weight of 299.42 g/mol, XLogP of 0.06, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2,3-bis[[(2S)-3-oxobutan-2-yl]amino]propylamino]butan-2-one is sourced from PubChem (CID 90254109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).