(2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide

C11H17FN2O3 — CID 120965503

IUPAC(2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COCC1CC1
InChIInChI=1S/C11H17FN2O3/c12-8-3-9(11(13)16)14(4-8)10(15)6-17-5-7-1-2-7/h7-9H,1-6H2,(H2,13,16)/t8-,9+/m1/s1
InChIKeyOAADABBNMSVKKC-BDAKNGLRSA-N
MW244.27 g/mol
LogP-0.16
Rot. Bonds5

About (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120965503) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID120965503
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name(2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COCC1CC1
InChIInChI=1S/C11H17FN2O3/c12-8-3-9(11(13)16)14(4-8)10(15)6-17-5-7-1-2-7/h7-9H,1-6H2,(H2,13,16)/t8-,9+/m1/s1
InChIKeyOAADABBNMSVKKC-BDAKNGLRSA-N
XLogP-0.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide (CID 120965503) is (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COCC1CC1.
What is the InChIKey of (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is OAADABBNMSVKKC-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17FN2O3/c12-8-3-9(11(13)16)14(4-8)10(15)6-17-5-7-1-2-7/h7-9H,1-6H2,(H2,13,16)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 244.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120965503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).