1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile

C11H17N3O — CID 71236306

IUPAC1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile
SMILESCCC1(C#N)CN(C(=O)[C@H](N)C2CC2)C1
InChIInChI=1S/C11H17N3O/c1-2-11(5-12)6-14(7-11)10(15)9(13)8-3-4-8/h8-9H,2-4,6-7,13H2,1H3/t9-/m1/s1
InChIKeyDFWVMQJTJKQKPM-SECBINFHSA-N
MW207.28 g/mol
LogP0.49
Rot. Bonds3

About 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile

1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile (PubChem CID 71236306) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile
PubChem CID71236306
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile
SMILESCCC1(C#N)CN(C(=O)[C@H](N)C2CC2)C1
InChIInChI=1S/C11H17N3O/c1-2-11(5-12)6-14(7-11)10(15)9(13)8-3-4-8/h8-9H,2-4,6-7,13H2,1H3/t9-/m1/s1
InChIKeyDFWVMQJTJKQKPM-SECBINFHSA-N
XLogP0.49
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile?
The IUPAC name of 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile (CID 71236306) is 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile?
The canonical SMILES for 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile is CCC1(C#N)CN(C(=O)[C@H](N)C2CC2)C1.
What is the InChIKey of 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile?
The InChIKey is DFWVMQJTJKQKPM-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-11(5-12)6-14(7-11)10(15)9(13)8-3-4-8/h8-9H,2-4,6-7,13H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile?
1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile is sourced from PubChem (CID 71236306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).