(2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide

C11H19N3O3 — CID 146638412

IUPAC(2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide
SMILESC=CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC
InChIInChI=1S/C11H19N3O3/c1-5-9(15)13-8(4)11(17)14-7(3)10(16)12-6-2/h6-8H,2,5H2,1,3-4H3,(H,12,16)(H,13,15)(H,14,17)/t7-,8-/m0/s1
InChIKeySYMDGKDNEBXBPZ-YUMQZZPRSA-N
MW241.29 g/mol
LogP-0.33
Rot. Bonds6

About (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide

(2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide (PubChem CID 146638412) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide
PubChem CID146638412
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide
SMILESC=CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC
InChIInChI=1S/C11H19N3O3/c1-5-9(15)13-8(4)11(17)14-7(3)10(16)12-6-2/h6-8H,2,5H2,1,3-4H3,(H,12,16)(H,13,15)(H,14,17)/t7-,8-/m0/s1
InChIKeySYMDGKDNEBXBPZ-YUMQZZPRSA-N
XLogP-0.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide?
The IUPAC name of (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide (CID 146638412) is (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide?
The canonical SMILES for (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide is C=CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC.
What is the InChIKey of (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide?
The InChIKey is SYMDGKDNEBXBPZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-9(15)13-8(4)11(17)14-7(3)10(16)12-6-2/h6-8H,2,5H2,1,3-4H3,(H,12,16)(H,13,15)(H,14,17)/t7-,8-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide?
(2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide has a molecular weight of 241.29 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(ethenylamino)-1-oxopropan-2-yl]-2-(propanoylamino)propanamide is sourced from PubChem (CID 146638412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).