2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid

C18H23FN2O4 — CID 166615789

IUPAC2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CC[C@@H](CNC(=O)c2cc(O)ccc2F)N1CC1CC1
InChIInChI=1S/C18H23FN2O4/c19-16-6-5-14(22)8-15(16)18(25)20-9-13-4-3-12(7-17(23)24)21(13)10-11-1-2-11/h5-6,8,11-13,22H,1-4,7,9-10H2,(H,20,25)(H,23,24)/t12-,13+/m1/s1
InChIKeyWAABXURFJARWOJ-OLZOCXBDSA-N
MW350.39 g/mol
LogP1.98
Rot. Bonds7

About 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid

2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 166615789) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid
PubChem CID166615789
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CC[C@@H](CNC(=O)c2cc(O)ccc2F)N1CC1CC1
InChIInChI=1S/C18H23FN2O4/c19-16-6-5-14(22)8-15(16)18(25)20-9-13-4-3-12(7-17(23)24)21(13)10-11-1-2-11/h5-6,8,11-13,22H,1-4,7,9-10H2,(H,20,25)(H,23,24)/t12-,13+/m1/s1
InChIKeyWAABXURFJARWOJ-OLZOCXBDSA-N
XLogP1.98
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid (CID 166615789) is 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid is O=C(O)C[C@H]1CC[C@@H](CNC(=O)c2cc(O)ccc2F)N1CC1CC1.
What is the InChIKey of 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is WAABXURFJARWOJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-16-6-5-14(22)8-15(16)18(25)20-9-13-4-3-12(7-17(23)24)21(13)10-11-1-2-11/h5-6,8,11-13,22H,1-4,7,9-10H2,(H,20,25)(H,23,24)/t12-,13+/m1/s1.
What are the key properties of 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid?
2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 350.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-fluoro-5-hydroxybenzoyl)amino]methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 166615789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).