2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide

C10H19N3O4 — CID 157044307

IUPAC2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide
SMILESCNC(=O)C(O)C(CC1CCNC1=O)N(C)O
InChIInChI=1S/C10H19N3O4/c1-11-10(16)8(14)7(13(2)17)5-6-3-4-12-9(6)15/h6-8,14,17H,3-5H2,1-2H3,(H,11,16)(H,12,15)
InChIKeyIMLPICLMUGJEHA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.69
Rot. Bonds5

About 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide

2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide (PubChem CID 157044307) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide
PubChem CID157044307
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide
SMILESCNC(=O)C(O)C(CC1CCNC1=O)N(C)O
InChIInChI=1S/C10H19N3O4/c1-11-10(16)8(14)7(13(2)17)5-6-3-4-12-9(6)15/h6-8,14,17H,3-5H2,1-2H3,(H,11,16)(H,12,15)
InChIKeyIMLPICLMUGJEHA-UHFFFAOYSA-N
XLogP-1.69
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
CID 157044319
(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
CID 134306097
3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
CID 58593524
methyl (2S)-2-(aminoiodanuidylmethyl)-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate
CID 162479060
methyl (2S)-2-[[(2S)-2-[[2-[hydroxy(methyl)amino]acetyl]amino]-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166840505
methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 158532363
(2S)-2-[(2-amino-2-cyclopentylacetyl)amino]-N-methoxy-N-methyl-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166722285
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908
[(3S)-3-amino-1-(cyclopropylamino)-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] acetate
CID 171088245
methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 163323578
(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175915034
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide?
The IUPAC name of 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide (CID 157044307) is 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide.
What is the SMILES notation for 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide?
The canonical SMILES for 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide is CNC(=O)C(O)C(CC1CCNC1=O)N(C)O.
What is the InChIKey of 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide?
The InChIKey is IMLPICLMUGJEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-11-10(16)8(14)7(13(2)17)5-6-3-4-12-9(6)15/h6-8,14,17H,3-5H2,1-2H3,(H,11,16)(H,12,15).
What are the key properties of 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide?
2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide has a molecular weight of 245.28 g/mol, XLogP of -1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide is sourced from PubChem (CID 157044307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).