(2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile

C10H17N3O — CID 11138020

IUPAC(2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)NCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C10H17N3O/c1-8(2)12-7-10(14)13-5-3-4-9(13)6-11/h8-9,12H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyCROUAYFWRANMBW-VIFPVBQESA-N
MW195.27 g/mol
LogP0.50
Rot. Bonds3

About (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 11138020) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID11138020
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)NCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C10H17N3O/c1-8(2)12-7-10(14)13-5-3-4-9(13)6-11/h8-9,12H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyCROUAYFWRANMBW-VIFPVBQESA-N
XLogP0.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile (CID 11138020) is (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile is CC(C)NCC(=O)N1CCC[C@H]1C#N.
What is the InChIKey of (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is CROUAYFWRANMBW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)12-7-10(14)13-5-3-4-9(13)6-11/h8-9,12H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 195.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(propan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 11138020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).