N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C9H15N3O4 — CID 107362651

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC(O)C(N)=O)CC1=O
InChIInChI=1S/C9H15N3O4/c1-12-4-5(2-7(12)14)9(16)11-3-6(13)8(10)15/h5-6,13H,2-4H2,1H3,(H2,10,15)(H,11,16)
InChIKeyLHMDMYQRKKDOJR-UHFFFAOYSA-N
MW229.24 g/mol
LogP-2.57
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 107362651) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID107362651
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC(O)C(N)=O)CC1=O
InChIInChI=1S/C9H15N3O4/c1-12-4-5(2-7(12)14)9(16)11-3-6(13)8(10)15/h5-6,13H,2-4H2,1H3,(H2,10,15)(H,11,16)
InChIKeyLHMDMYQRKKDOJR-UHFFFAOYSA-N
XLogP-2.57
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-2.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 114152589
1-methyl-5-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 178032882
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
1-methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 66004114
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104981078
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452
(2S,3R)-3-hydroxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 104965003
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 115877696
N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 79676055
4-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525988

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 107362651) is N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCC(O)C(N)=O)CC1=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LHMDMYQRKKDOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-12-4-5(2-7(12)14)9(16)11-3-6(13)8(10)15/h5-6,13H,2-4H2,1H3,(H2,10,15)(H,11,16).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of -2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 107362651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).