(2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide

C11H18N4O5 — CID 156867672

IUPAC(2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide
SMILESC=CC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NC
InChIInChI=1S/C11H18N4O5/c1-3-8(17)13-4-9(18)14-5-10(19)15-7(6-16)11(20)12-2/h3,7,16H,1,4-6H2,2H3,(H,12,20)(H,13,17)(H,14,18)(H,15,19)/t7-/m0/s1
InChIKeyHASIKESLZJWMAK-ZETCQYMHSA-N
MW286.29 g/mol
LogP-3.37
Rot. Bonds8

About (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide

(2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide (PubChem CID 156867672) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide
PubChem CID156867672
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC Name(2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide
SMILESC=CC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NC
InChIInChI=1S/C11H18N4O5/c1-3-8(17)13-4-9(18)14-5-10(19)15-7(6-16)11(20)12-2/h3,7,16H,1,4-6H2,2H3,(H,12,20)(H,13,17)(H,14,18)(H,15,19)/t7-/m0/s1
InChIKeyHASIKESLZJWMAK-ZETCQYMHSA-N
XLogP-3.37
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-3.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide?
The IUPAC name of (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide (CID 156867672) is (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide is C=CC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NC.
What is the InChIKey of (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide?
The InChIKey is HASIKESLZJWMAK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N4O5/c1-3-8(17)13-4-9(18)14-5-10(19)15-7(6-16)11(20)12-2/h3,7,16H,1,4-6H2,2H3,(H,12,20)(H,13,17)(H,14,18)(H,15,19)/t7-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide?
(2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide has a molecular weight of 286.29 g/mol, XLogP of -3.37, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide is sourced from PubChem (CID 156867672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).