(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide

C10H13N3O5 — CID 147258650

IUPAC(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)NC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C10H13N3O5/c1-11-10(18)6(5-14)12-7(15)4-13-8(16)2-3-9(13)17/h2-3,6,14H,4-5H2,1H3,(H,11,18)(H,12,15)/t6-/m0/s1
InChIKeyCODAWTSYNLIAJP-LURJTMIESA-N
MW255.23 g/mol
LogP-2.87
Rot. Bonds5

About (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide

(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide (PubChem CID 147258650) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide
PubChem CID147258650
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)NC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C10H13N3O5/c1-11-10(18)6(5-14)12-7(15)4-13-8(16)2-3-9(13)17/h2-3,6,14H,4-5H2,1H3,(H,11,18)(H,12,15)/t6-/m0/s1
InChIKeyCODAWTSYNLIAJP-LURJTMIESA-N
XLogP-2.87
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-2.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
CID 19108184
(2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide
CID 54552922
3-Hydroxy-2-(prop-2-enoylamino)propanamide
CID 76102945
3-(2,5-dioxopyrrol-1-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 89502739
2-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 118022981
2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide
CID 118133798
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide
CID 118681514
(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 121412808
(2S,3R)-3-hydroxy-N-methyl-2-(prop-2-enoylamino)butanamide
CID 122467952
6-(2,5-dioxopyrrol-1-yl)-N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]hexanamide
CID 129198430
N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide
CID 130359030
2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 134572237

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide?
The IUPAC name of (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide (CID 147258650) is (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide is CNC(=O)[C@H](CO)NC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide?
The InChIKey is CODAWTSYNLIAJP-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O5/c1-11-10(18)6(5-14)12-7(15)4-13-8(16)2-3-9(13)17/h2-3,6,14H,4-5H2,1H3,(H,11,18)(H,12,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide?
(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide has a molecular weight of 255.23 g/mol, XLogP of -2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 147258650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).