(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide

C12H21N3O — CID 61157435

IUPAC(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-3-9(2)11(14)12(16)15(8-4-7-13)10-5-6-10/h9-11H,3-6,8,14H2,1-2H3/t9-,11-/m0/s1
InChIKeyUNJGAIJUVWULPW-ONGXEEELSA-N
MW223.32 g/mol
LogP1.26
Rot. Bonds6

About (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide

(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide (PubChem CID 61157435) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
PubChem CID61157435
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-3-9(2)11(14)12(16)15(8-4-7-13)10-5-6-10/h9-11H,3-6,8,14H2,1-2H3/t9-,11-/m0/s1
InChIKeyUNJGAIJUVWULPW-ONGXEEELSA-N
XLogP1.26
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide (CID 61157435) is (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(CCC#N)C1CC1.
What is the InChIKey of (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide?
The InChIKey is UNJGAIJUVWULPW-ONGXEEELSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9(2)11(14)12(16)15(8-4-7-13)10-5-6-10/h9-11H,3-6,8,14H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide?
(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide has a molecular weight of 223.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide is sourced from PubChem (CID 61157435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).