(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile

C15H21N3O — CID 10106636

IUPAC(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile
SMILESCC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C15H21N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-9,17H2,1H3/t12-,13-,14-/m0/s1
InChIKeyUXJJEQMBADTCCT-IHRRRGAJSA-N
MW259.35 g/mol
LogP1.41
Rot. Bonds2

About (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile

(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile (PubChem CID 10106636) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile
PubChem CID10106636
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile
SMILESCC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C15H21N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-9,17H2,1H3/t12-,13-,14-/m0/s1
InChIKeyUXJJEQMBADTCCT-IHRRRGAJSA-N
XLogP1.41
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Cyanopyrrolidine 1
CID 23645685
(2S,5R)-1-[(2S)-2-amino-4-methylpentanoyl]-5-ethynylpyrrolidine-2-carbonitrile
CID 10014222
(2S,5R)-1-[(2S)-2-amino-2-cyclohexylacetyl]-5-ethynylpyrrolidine-2-carbonitrile
CID 10038196
Chg-Pro-CN
CID 11075394
C5-substituted pyrrolidine 16
CID 11776638
1-(2-Amino-2-cyclohexylacetyl)pyrrolidine-2-carbonitrile
CID 22387295
(1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile; 2,2,2-trifluoroacetic acid
CID 11406220
(2S,5S)-1-[(2S)-2-amino-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonitrile
CID 10242702
(2S,5S)-1-((2S)-2-amino-2-cyclopentylethanoyl)-5-methylpyrrolidine-2-carbonitrile
CID 23646140
Ile-Pro-CN
CID 10176680
2-(S)cyano-1-isoleucylpyrrolidine
CID 11469862
(S)-1-((3S,5S)-3-propylpyrrolidine-5-carbonyl)pyrrolidine-2-carbonitrile
CID 44429117

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile?
The IUPAC name of (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile (CID 10106636) is (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile is CC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1.
What is the InChIKey of (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile?
The InChIKey is UXJJEQMBADTCCT-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-9,17H2,1H3/t12-,13-,14-/m0/s1.
What are the key properties of (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile?
(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-prop-1-ynylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 10106636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).