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

C11H17FN2O3 — CID 122015640

IUPAC1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N[C@@H]2CCC[C@@H]2F)C1
InChIInChI=1S/C11H17FN2O3/c12-8-2-1-3-9(8)13-11(17)14-5-4-7(6-14)10(15)16/h7-9H,1-6H2,(H,13,17)(H,15,16)/t7?,8-,9+/m0/s1
InChIKeyDZKUVVOIKVOKAS-SXNZSPLWSA-N
MW244.27 g/mol
LogP0.99
Rot. Bonds2

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

1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122015640) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122015640
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N[C@@H]2CCC[C@@H]2F)C1
InChIInChI=1S/C11H17FN2O3/c12-8-2-1-3-9(8)13-11(17)14-5-4-7(6-14)10(15)16/h7-9H,1-6H2,(H,13,17)(H,15,16)/t7?,8-,9+/m0/s1
InChIKeyDZKUVVOIKVOKAS-SXNZSPLWSA-N
XLogP0.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016523
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015648
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122002970
1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016138
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016519
1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 64742360
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122015640) is 1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)N[C@@H]2CCC[C@@H]2F)C1.
What is the InChIKey of 1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DZKUVVOIKVOKAS-SXNZSPLWSA-N. The full InChI is InChI=1S/C11H17FN2O3/c12-8-2-1-3-9(8)13-11(17)14-5-4-7(6-14)10(15)16/h7-9H,1-6H2,(H,13,17)(H,15,16)/t7?,8-,9+/m0/s1.
What are the key properties of 1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122015640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).