(3R)-3-amino-1-cyclopropylbutan-2-one

C7H13NO — CID 96732436

IUPAC(3R)-3-amino-1-cyclopropylbutan-2-one
SMILESC[C@@H](N)C(=O)CC1CC1
InChIInChI=1S/C7H13NO/c1-5(8)7(9)4-6-2-3-6/h5-6H,2-4,8H2,1H3/t5-/m1/s1
InChIKeyYKRABPYAJIYSLY-RXMQYKEDSA-N
MW127.19 g/mol
LogP0.70
Rot. Bonds3

About (3R)-3-amino-1-cyclopropylbutan-2-one

(3R)-3-amino-1-cyclopropylbutan-2-one (PubChem CID 96732436) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R)-3-amino-1-cyclopropylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-cyclopropylbutan-2-one
PubChem CID96732436
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R)-3-amino-1-cyclopropylbutan-2-one
SMILESC[C@@H](N)C(=O)CC1CC1
InChIInChI=1S/C7H13NO/c1-5(8)7(9)4-6-2-3-6/h5-6H,2-4,8H2,1H3/t5-/m1/s1
InChIKeyYKRABPYAJIYSLY-RXMQYKEDSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-cyclopropylbutan-2-one?
The IUPAC name of (3R)-3-amino-1-cyclopropylbutan-2-one (CID 96732436) is (3R)-3-amino-1-cyclopropylbutan-2-one.
What is the SMILES notation for (3R)-3-amino-1-cyclopropylbutan-2-one?
The canonical SMILES for (3R)-3-amino-1-cyclopropylbutan-2-one is C[C@@H](N)C(=O)CC1CC1.
What is the InChIKey of (3R)-3-amino-1-cyclopropylbutan-2-one?
The InChIKey is YKRABPYAJIYSLY-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(8)7(9)4-6-2-3-6/h5-6H,2-4,8H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-amino-1-cyclopropylbutan-2-one?
(3R)-3-amino-1-cyclopropylbutan-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-cyclopropylbutan-2-one is sourced from PubChem (CID 96732436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).