N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide

C9H16N2O3 — CID 142438428

IUPACN-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1C(=O)NCC1O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-10-8(13)7-6(12)5-11-9(7)14/h6-7,12H,2-5H2,1H3,(H,10,13)(H,11,14)
InChIKeyAMYVYWXZIDXKJT-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.99
Rot. Bonds4

About N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide

N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 142438428) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID142438428
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1C(=O)NCC1O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-10-8(13)7-6(12)5-11-9(7)14/h6-7,12H,2-5H2,1H3,(H,10,13)(H,11,14)
InChIKeyAMYVYWXZIDXKJT-UHFFFAOYSA-N
XLogP-0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810390
3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride
CID 154586687
4-hydroxy-3-pentylpyrrolidin-2-one
CID 67824798
1-[(4-hydroxy-2-oxopyrrolidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 142438412
N'-cyclopentyl-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448510
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
N-(1-formylcyclobutyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438422
2-oxo-N-pentylpiperidine-4-carboxamide
CID 110682108
(1R,2S,3S,4S)-2-N,3-N-dibutylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxamide
CID 92527499
N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 137474003
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
CID 74884545

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 142438428) is N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide is CCCCNC(=O)C1C(=O)NCC1O.
What is the InChIKey of N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is AMYVYWXZIDXKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-3-4-10-8(13)7-6(12)5-11-9(7)14/h6-7,12H,2-5H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142438428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).