(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide

C14H20N2O3 — CID 125134711

IUPAC(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCCNC(=O)[C@H]2C[C@H](O)CN2)cc1
InChIInChI=1S/C14H20N2O3/c1-10-2-4-12(5-3-10)19-7-6-15-14(18)13-8-11(17)9-16-13/h2-5,11,13,16-17H,6-9H2,1H3,(H,15,18)/t11-,13+/m0/s1
InChIKeyHCACXSAPQNMSBG-WCQYABFASA-N
MW264.32 g/mol
LogP0.21
Rot. Bonds5

About (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide

(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 125134711) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID125134711
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCCNC(=O)[C@H]2C[C@H](O)CN2)cc1
InChIInChI=1S/C14H20N2O3/c1-10-2-4-12(5-3-10)19-7-6-15-14(18)13-8-11(17)9-16-13/h2-5,11,13,16-17H,6-9H2,1H3,(H,15,18)/t11-,13+/m0/s1
InChIKeyHCACXSAPQNMSBG-WCQYABFASA-N
XLogP0.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119746756
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948
4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119751106
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
4-hydroxy-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119778712
2-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 78780831
N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119308262
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119900770
(2S,4S)-4-hydroxy-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91237486

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide (CID 125134711) is (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide is Cc1ccc(OCCNC(=O)[C@H]2C[C@H](O)CN2)cc1.
What is the InChIKey of (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is HCACXSAPQNMSBG-WCQYABFASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-2-4-12(5-3-10)19-7-6-15-14(18)13-8-11(17)9-16-13/h2-5,11,13,16-17H,6-9H2,1H3,(H,15,18)/t11-,13+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide?
(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125134711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).