(2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide

C11H19N3O2 — CID 134355532

IUPAC(2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide
SMILESC=C/C(=C\C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C11H19N3O2/c1-5-9(6-2)14-11(16)8(4)13-10(15)7(3)12/h5-8H,1,12H2,2-4H3,(H,13,15)(H,14,16)/b9-6+/t7-,8-/m0/s1
InChIKeyANHYWBBUDONFPI-YCZQLVKWSA-N
MW225.29 g/mol
LogP0.04
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide (PubChem CID 134355532) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide
PubChem CID134355532
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide
SMILESC=C/C(=C\C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C11H19N3O2/c1-5-9(6-2)14-11(16)8(4)13-10(15)7(3)12/h5-8H,1,12H2,2-4H3,(H,13,15)(H,14,16)/b9-6+/t7-,8-/m0/s1
InChIKeyANHYWBBUDONFPI-YCZQLVKWSA-N
XLogP0.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 15334838
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 45268243
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
CID 45271636
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
CID 45272533
N~2~-methyl-N~1~-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-L-alaninamide
CID 91828411
2-(2-fluoroethylamino)-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]acetamide
CID 142402250
N'-[(2E)-4-(2,2,2-trifluoroethylamino)penta-2,4-dienyl]oxamide
CID 171822303
N-ethyl-2-(propanoylamino)but-3-enamide
CID 58636331
2-(methylamino)-N-[(6-oxo-1H-pyridin-2-yl)methyl]acetamide
CID 58786290
(2S)-2,3-bis(methylamino)-N-[(2S)-3-oxo-2-(prop-1-enylamino)-3-(tritioamino)propyl]propanamide
CID 59170544
(2S)-3-(methylamino)-N-[(2S)-3-(methylamino)-1-oxo-1-(tritioamino)propan-2-yl]-2-(prop-1-enylamino)propanamide
CID 59170550
(2S)-2,3-bis(methylamino)-N-[(2S)-1-oxo-3-(prop-1-enylamino)-1-(tritioamino)propan-2-yl]propanamide
CID 59170611

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide (CID 134355532) is (2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide is C=C/C(=C\C)NC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide?
The InChIKey is ANHYWBBUDONFPI-YCZQLVKWSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-9(6-2)14-11(16)8(4)13-10(15)7(3)12/h5-8H,1,12H2,2-4H3,(H,13,15)(H,14,16)/b9-6+/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-oxo-1-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.04, 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-[[(3E)-penta-1,3-dien-3-yl]amino]propan-2-yl]propanamide is sourced from PubChem (CID 134355532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).