(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid

C9H13F3N2O4 — CID 80749492

IUPAC(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@@H](CO)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)8(1-2-13-4-8)7(18)14-5(3-15)6(16)17/h5,13,15H,1-4H2,(H,14,18)(H,16,17)/t5-,8?/m1/s1
InChIKeyMQQOOWPYOQKBRY-RUQIKYNFSA-N
MW270.21 g/mol
LogP-0.91
Rot. Bonds4

About (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 80749492) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID80749492
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@@H](CO)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)8(1-2-13-4-8)7(18)14-5(3-15)6(16)17/h5,13,15H,1-4H2,(H,14,18)(H,16,17)/t5-,8?/m1/s1
InChIKeyMQQOOWPYOQKBRY-RUQIKYNFSA-N
XLogP-0.91
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanedioic acid
CID 63710248
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106161551
N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709149
N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113376269
N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82945350
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64605661
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103287344
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
2-[1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
CID 64699770

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (CID 80749492) is (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is O=C(O)[C@@H](CO)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is MQQOOWPYOQKBRY-RUQIKYNFSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c10-9(11,12)8(1-2-13-4-8)7(18)14-5(3-15)6(16)17/h5,13,15H,1-4H2,(H,14,18)(H,16,17)/t5-,8?/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 270.21 g/mol, XLogP of -0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 80749492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).