(2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide

C11H21N3O2 — CID 163570203

IUPAC(2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide
SMILESC/C=C(\CC)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C11H21N3O2/c1-5-9(6-2)14-11(16)8(4)13-10(15)7(3)12/h5,7-8H,6,12H2,1-4H3,(H,13,15)(H,14,16)/b9-5+/t7-,8-/m0/s1
InChIKeyFYRPKJNUHOPOFX-LSUQNPSCSA-N
MW227.31 g/mol
LogP0.27
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide (PubChem CID 163570203) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide
PubChem CID163570203
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide
SMILESC/C=C(\CC)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C11H21N3O2/c1-5-9(6-2)14-11(16)8(4)13-10(15)7(3)12/h5,7-8H,6,12H2,1-4H3,(H,13,15)(H,14,16)/b9-5+/t7-,8-/m0/s1
InChIKeyFYRPKJNUHOPOFX-LSUQNPSCSA-N
XLogP0.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide (CID 163570203) is (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide is C/C=C(\CC)NC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide?
The InChIKey is FYRPKJNUHOPOFX-LSUQNPSCSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-9(6-2)14-11(16)8(4)13-10(15)7(3)12/h5,7-8H,6,12H2,1-4H3,(H,13,15)(H,14,16)/b9-5+/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide has a molecular weight of 227.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-oxo-1-[[(E)-pent-2-en-3-yl]amino]propan-2-yl]propanamide is sourced from PubChem (CID 163570203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).