1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid

C12H20N2O4 — CID 122016523

IUPAC1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCO[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-18-10-4-2-3-9(10)13-12(17)14-6-5-8(7-14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)/t8?,9-,10-/m1/s1
InChIKeyPCOCWYHLASMSFI-VXRWAFEHSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds3

About 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122016523) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122016523
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCO[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-18-10-4-2-3-9(10)13-12(17)14-6-5-8(7-14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)/t8?,9-,10-/m1/s1
InChIKeyPCOCWYHLASMSFI-VXRWAFEHSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016519
4-[(2-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
CID 62088277
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015640
(3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide
CID 124845632
3-hydroxy-N-(2-methoxycyclohexyl)piperidine-1-carboxamide
CID 111508397
(3R)-N-[(1R,2R)-2-methoxycyclohexyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 124741783
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999621
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

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122016523) is 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid is CO[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PCOCWYHLASMSFI-VXRWAFEHSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-10-4-2-3-9(10)13-12(17)14-6-5-8(7-14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)/t8?,9-,10-/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122016523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).