(3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide

C15H28N2O3 — CID 124845632

IUPAC(3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide
SMILESCO[C@@H]1CCCCC[C@@H]1NC(=O)N1CC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C15H28N2O3/c1-11(18)12-8-9-17(10-12)15(19)16-13-6-4-3-5-7-14(13)20-2/h11-14,18H,3-10H2,1-2H3,(H,16,19)/t11-,12+,13-,14+/m0/s1
InChIKeyPWVLZYPDTUCPLU-RFQIPJPRSA-N
MW284.40 g/mol
LogP1.75
Rot. Bonds3

About (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide

(3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide (PubChem CID 124845632) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide
PubChem CID124845632
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide
SMILESCO[C@@H]1CCCCC[C@@H]1NC(=O)N1CC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C15H28N2O3/c1-11(18)12-8-9-17(10-12)15(19)16-13-6-4-3-5-7-14(13)20-2/h11-14,18H,3-10H2,1-2H3,(H,16,19)/t11-,12+,13-,14+/m0/s1
InChIKeyPWVLZYPDTUCPLU-RFQIPJPRSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016523
3-hydroxy-N-(2-methoxycyclohexyl)piperidine-1-carboxamide
CID 111508397
(3R)-N-[(1R,2R)-2-methoxycyclohexyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 124741783
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016519
4-[(2-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
CID 62088277
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
4-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999534
4-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999533
(2S)-N-[(1R,2R)-2-methoxycyclohexyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 98874217
3-(1-aminoethyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 103975960
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide (CID 124845632) is (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide is CO[C@@H]1CCCCC[C@@H]1NC(=O)N1CC[C@@H]([C@H](C)O)C1.
What is the InChIKey of (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide?
The InChIKey is PWVLZYPDTUCPLU-RFQIPJPRSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(18)12-8-9-17(10-12)15(19)16-13-6-4-3-5-7-14(13)20-2/h11-14,18H,3-10H2,1-2H3,(H,16,19)/t11-,12+,13-,14+/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide?
(3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124845632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).