(3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid

C17H26N2O5 — CID 125152997

IUPAC(3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H26N2O5/c20-15-9-12(10-19(15)13-5-3-1-2-4-6-13)16(21)18-7-8-24-11-14(18)17(22)23/h12-14H,1-11H2,(H,22,23)/t12-,14+/m1/s1
InChIKeyRQFQSHTUNIMXAQ-OCCSQVGLSA-N
MW338.40 g/mol
LogP0.87
Rot. Bonds3

About (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid

(3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125152997) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID125152997
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H26N2O5/c20-15-9-12(10-19(15)13-5-3-1-2-4-6-13)16(21)18-7-8-24-11-14(18)17(22)23/h12-14H,1-11H2,(H,22,23)/t12-,14+/m1/s1
InChIKeyRQFQSHTUNIMXAQ-OCCSQVGLSA-N
XLogP0.87
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119216244
4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119215873
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119215864
(3R)-4-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]morpholine-3-carboxylic acid
CID 124513398
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
CID 104855782
(3R)-4-[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125119389
2-[(2S)-4-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 129465906
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
(4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 129427813
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid (CID 125152997) is (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is RQFQSHTUNIMXAQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H26N2O5/c20-15-9-12(10-19(15)13-5-3-1-2-4-6-13)16(21)18-7-8-24-11-14(18)17(22)23/h12-14H,1-11H2,(H,22,23)/t12-,14+/m1/s1.
What are the key properties of (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
(3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 338.40 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125152997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).