2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one

C9H19N3O — CID 23397528

IUPAC2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one
SMILESCC(C)(N)C(N)C(=O)[C@H]1CCCN1
InChIInChI=1S/C9H19N3O/c1-9(2,11)8(10)7(13)6-4-3-5-12-6/h6,8,12H,3-5,10-11H2,1-2H3/t6-,8?/m1/s1
InChIKeyJBKGEOMQZFCCQE-XPJFZRNWSA-N
MW185.27 g/mol
LogP-0.63
Rot. Bonds3

About 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one

2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one (PubChem CID 23397528) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one.

Molecular Properties

Compound Name2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one
PubChem CID23397528
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one
SMILESCC(C)(N)C(N)C(=O)[C@H]1CCCN1
InChIInChI=1S/C9H19N3O/c1-9(2,11)8(10)7(13)6-4-3-5-12-6/h6,8,12H,3-5,10-11H2,1-2H3/t6-,8?/m1/s1
InChIKeyJBKGEOMQZFCCQE-XPJFZRNWSA-N
XLogP-0.63
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one?
The IUPAC name of 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one (CID 23397528) is 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one.
What is the SMILES notation for 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one?
The canonical SMILES for 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one is CC(C)(N)C(N)C(=O)[C@H]1CCCN1.
What is the InChIKey of 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one?
The InChIKey is JBKGEOMQZFCCQE-XPJFZRNWSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,11)8(10)7(13)6-4-3-5-12-6/h6,8,12H,3-5,10-11H2,1-2H3/t6-,8?/m1/s1.
What are the key properties of 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one?
2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-1-one is sourced from PubChem (CID 23397528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).