(2S)-2-amino-N-(2-cyanopropyl)butanamide

C8H15N3O — CID 79023306

IUPAC(2S)-2-amino-N-(2-cyanopropyl)butanamide
SMILESCC[C@H](N)C(=O)NCC(C)C#N
InChIInChI=1S/C8H15N3O/c1-3-7(10)8(12)11-5-6(2)4-9/h6-7H,3,5,10H2,1-2H3,(H,11,12)/t6?,7-/m0/s1
InChIKeyMVSZWPJSKUOYTE-MLWJPKLSSA-N
MW169.23 g/mol
LogP-0.00
Rot. Bonds4

About (2S)-2-amino-N-(2-cyanopropyl)butanamide

(2S)-2-amino-N-(2-cyanopropyl)butanamide (PubChem CID 79023306) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanopropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanopropyl)butanamide
PubChem CID79023306
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(2S)-2-amino-N-(2-cyanopropyl)butanamide
SMILESCC[C@H](N)C(=O)NCC(C)C#N
InChIInChI=1S/C8H15N3O/c1-3-7(10)8(12)11-5-6(2)4-9/h6-7H,3,5,10H2,1-2H3,(H,11,12)/t6?,7-/m0/s1
InChIKeyMVSZWPJSKUOYTE-MLWJPKLSSA-N
XLogP-0.00
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-cyanopropyl)propanamide
CID 78991396
(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905937
N-(2-cyanopropyl)-2-propylpentanamide
CID 115532839
3-(2-cyanopropylamino)-2-methyl-3-oxopropanoic acid
CID 114898360
2-amino-N-(3-cyanopropyl)butanamide
CID 62666454
(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
CID 104861437
2-[(2-aminobutanoylamino)methyl]butanoic acid
CID 65224441
(2R)-2-amino-N-methylbutanamide
CID 14888796
2-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894
2-amino-N-but-2-ynylbutanamide
CID 115976942
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43649575

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyanopropyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanopropyl)butanamide (CID 79023306) is (2S)-2-amino-N-(2-cyanopropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanopropyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanopropyl)butanamide is CC[C@H](N)C(=O)NCC(C)C#N.
What is the InChIKey of (2S)-2-amino-N-(2-cyanopropyl)butanamide?
The InChIKey is MVSZWPJSKUOYTE-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-7(10)8(12)11-5-6(2)4-9/h6-7H,3,5,10H2,1-2H3,(H,11,12)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanopropyl)butanamide?
(2S)-2-amino-N-(2-cyanopropyl)butanamide has a molecular weight of 169.23 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyanopropyl)butanamide is sourced from PubChem (CID 79023306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).