(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine

C16H24N2O3 — CID 162152790

IUPAC(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
SMILESCC[C@H](C(=O)O)N1CCCC1=O.C[C@H](N)c1ccccc1
InChIInChI=1S/C8H13NO3.C8H11N/c1-2-6(8(11)12)9-5-3-4-7(9)10;1-7(9)8-5-3-2-4-6-8/h6H,2-5H2,1H3,(H,11,12);2-7H,9H2,1H3/t6-;7-/m10/s1
InChIKeyZLKXLRFDTRFXJV-NBFIYYEBSA-N
MW292.38 g/mol
LogP2.18
Rot. Bonds4

About (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine

(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine (PubChem CID 162152790) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine.

Molecular Properties

Compound Name(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
PubChem CID162152790
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
SMILESCC[C@H](C(=O)O)N1CCCC1=O.C[C@H](N)c1ccccc1
InChIInChI=1S/C8H13NO3.C8H11N/c1-2-6(8(11)12)9-5-3-4-7(9)10;1-7(9)8-5-3-2-4-6-8/h6H,2-5H2,1H3,(H,11,12);2-7H,9H2,1H3/t6-;7-/m10/s1
InChIKeyZLKXLRFDTRFXJV-NBFIYYEBSA-N
XLogP2.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-2-phenylacetic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 139145126
methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;(2R)-2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 161428490
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119529433
1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 95776826
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 68508171
N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119658832
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
2-(2-oxopyrrolidin-1-yl)dodecanoic acid
CID 57060081
4-amino-4-oxo-2-(2-oxoazepan-1-yl)butanoic acid
CID 90741938
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine?
The IUPAC name of (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine (CID 162152790) is (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine.
What is the SMILES notation for (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine?
The canonical SMILES for (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine is CC[C@H](C(=O)O)N1CCCC1=O.C[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine?
The InChIKey is ZLKXLRFDTRFXJV-NBFIYYEBSA-N. The full InChI is InChI=1S/C8H13NO3.C8H11N/c1-2-6(8(11)12)9-5-3-4-7(9)10;1-7(9)8-5-3-2-4-6-8/h6H,2-5H2,1H3,(H,11,12);2-7H,9H2,1H3/t6-;7-/m10/s1.
What are the key properties of (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine?
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine has a molecular weight of 292.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine is sourced from PubChem (CID 162152790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).