(2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide

C13H24N4O2 — CID 82961896

IUPAC(2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(CC(C)C#N)C(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C13H24N4O2/c1-5-17(8-10(4)6-14)11(18)7-16-13(19)12(15)9(2)3/h9-10,12H,5,7-8,15H2,1-4H3,(H,16,19)/t10?,12-/m0/s1
InChIKeyYJSFVUKFJJIXFH-KFJBMODSSA-N
MW268.36 g/mol
LogP0.09
Rot. Bonds7

About (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961896) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82961896
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name(2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(CC(C)C#N)C(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C13H24N4O2/c1-5-17(8-10(4)6-14)11(18)7-16-13(19)12(15)9(2)3/h9-10,12H,5,7-8,15H2,1-4H3,(H,16,19)/t10?,12-/m0/s1
InChIKeyYJSFVUKFJJIXFH-KFJBMODSSA-N
XLogP0.09
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82961896) is (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide is CCN(CC(C)C#N)C(=O)CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is YJSFVUKFJJIXFH-KFJBMODSSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-17(8-10(4)6-14)11(18)7-16-13(19)12(15)9(2)3/h9-10,12H,5,7-8,15H2,1-4H3,(H,16,19)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).