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

C10H15N3O — CID 89395754

IUPAC(3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile
SMILESN#C[C@@H]1CCN(C(=O)[C@H](N)C2CC2)C1
InChIInChI=1S/C10H15N3O/c11-5-7-3-4-13(6-7)10(14)9(12)8-1-2-8/h7-9H,1-4,6,12H2/t7-,9+/m0/s1
InChIKeyBHJIGUWQQHYQNZ-IONNQARKSA-N
MW193.25 g/mol
LogP0.10
Rot. Bonds2

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

(3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile (PubChem CID 89395754) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile
PubChem CID89395754
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile
SMILESN#C[C@@H]1CCN(C(=O)[C@H](N)C2CC2)C1
InChIInChI=1S/C10H15N3O/c11-5-7-3-4-13(6-7)10(14)9(12)8-1-2-8/h7-9H,1-4,6,12H2/t7-,9+/m0/s1
InChIKeyBHJIGUWQQHYQNZ-IONNQARKSA-N
XLogP0.10
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile
CID 164650433
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165
(3S)-1-(2-chloroacetyl)pyrrolidine-3-carbonitrile
CID 90446893
[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid
CID 16755147
1-[(2R)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]acetyl]piperidine-4-carbonitrile
CID 71236288
1-[1-(2-aminoacetyl)piperidin-4-yl]pyrrolidine-3-carbonitrile
CID 142427579
1-[(2R)-2-amino-2-cyclopropylacetyl]-3-ethylazetidine-3-carbonitrile
CID 71236306
1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile
CID 129322323
2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
CID 76725285
1-[2-amino-2-(4,4-difluorocyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 166305545
2-amino-1-[(3S)-3-methoxypyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120793854
propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
CID 130806171

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile?
The IUPAC name of (3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile (CID 89395754) is (3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for (3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile is N#C[C@@H]1CCN(C(=O)[C@H](N)C2CC2)C1.
What is the InChIKey of (3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile?
The InChIKey is BHJIGUWQQHYQNZ-IONNQARKSA-N. The full InChI is InChI=1S/C10H15N3O/c11-5-7-3-4-13(6-7)10(14)9(12)8-1-2-8/h7-9H,1-4,6,12H2/t7-,9+/m0/s1.
What are the key properties of (3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile?
(3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 89395754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).