1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one

C8H16N2O — CID 148728147

IUPAC1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(N)C[C@@H]1CN
InChIInChI=1S/C8H16N2O/c1-5(2)7(11)8(10)3-6(8)4-9/h5-6H,3-4,9-10H2,1-2H3/t6-,8?/m1/s1
InChIKeyOAKRLOOVLCRTSG-XPJFZRNWSA-N
MW156.23 g/mol
LogP-0.11
Rot. Bonds3

About 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one

1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one (PubChem CID 148728147) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one
PubChem CID148728147
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(N)C[C@@H]1CN
InChIInChI=1S/C8H16N2O/c1-5(2)7(11)8(10)3-6(8)4-9/h5-6H,3-4,9-10H2,1-2H3/t6-,8?/m1/s1
InChIKeyOAKRLOOVLCRTSG-XPJFZRNWSA-N
XLogP-0.11
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one (CID 148728147) is 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one is CC(C)C(=O)C1(N)C[C@@H]1CN.
What is the InChIKey of 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one?
The InChIKey is OAKRLOOVLCRTSG-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5(2)7(11)8(10)3-6(8)4-9/h5-6H,3-4,9-10H2,1-2H3/t6-,8?/m1/s1.
What are the key properties of 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one?
1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one has a molecular weight of 156.23 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-amino-2-(aminomethyl)cyclopropyl]-2-methylpropan-1-one is sourced from PubChem (CID 148728147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).