(2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide

C11H20N2O3 — CID 135390938

IUPAC(2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1C[C@H](C[C@H](C)O)CC1=O
InChIInChI=1S/C11H20N2O3/c1-3-9(11(12)16)13-6-8(4-7(2)14)5-10(13)15/h7-9,14H,3-6H2,1-2H3,(H2,12,16)/t7-,8+,9-/m0/s1
InChIKeyRCQOMLILBVWONO-YIZRAAEISA-N
MW228.29 g/mol
LogP-0.13
Rot. Bonds5

About (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide

(2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 135390938) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide
PubChem CID135390938
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1C[C@H](C[C@H](C)O)CC1=O
InChIInChI=1S/C11H20N2O3/c1-3-9(11(12)16)13-6-8(4-7(2)14)5-10(13)15/h7-9,14H,3-6H2,1-2H3,(H2,12,16)/t7-,8+,9-/m0/s1
InChIKeyRCQOMLILBVWONO-YIZRAAEISA-N
XLogP-0.13
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide (CID 135390938) is (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide is CC[C@@H](C(N)=O)N1C[C@H](C[C@H](C)O)CC1=O.
What is the InChIKey of (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is RCQOMLILBVWONO-YIZRAAEISA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-9(11(12)16)13-6-8(4-7(2)14)5-10(13)15/h7-9,14H,3-6H2,1-2H3,(H2,12,16)/t7-,8+,9-/m0/s1.
What are the key properties of (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide?
(2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 228.29 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-4-[(2S)-2-hydroxypropyl]-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 135390938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).