(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid

C12H20F3N3O5 — CID 175915034

IUPAC(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)C(O)[C@@H](N)C[C@@H]1CCNC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19N3O3.C2HF3O2/c1-13(2)10(16)8(14)7(11)5-6-3-4-12-9(6)15;3-2(4,5)1(6)7/h6-8,14H,3-5,11H2,1-2H3,(H,12,15);(H,6,7)/t6-,7-,8?;/m0./s1
InChIKeyFTMGBSRQFVPJCG-NKGRROCASA-N
MW343.30 g/mol
LogP-1.08
Rot. Bonds4

About (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid

(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid (PubChem CID 175915034) has the molecular formula C12H20F3N3O5 and a molecular weight of 343.30 g/mol. Its IUPAC name is (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid
PubChem CID175915034
Molecular FormulaC12H20F3N3O5
Molecular Weight343.30 g/mol
Exact Mass343.14
IUPAC Name(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)C(O)[C@@H](N)C[C@@H]1CCNC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19N3O3.C2HF3O2/c1-13(2)10(16)8(14)7(11)5-6-3-4-12-9(6)15;3-2(4,5)1(6)7/h6-8,14H,3-5,11H2,1-2H3,(H,12,15);(H,6,7)/t6-,7-,8?;/m0./s1
InChIKeyFTMGBSRQFVPJCG-NKGRROCASA-N
XLogP-1.08
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
CID 134306097
(3S)-3-[(2S)-2-amino-3-hydroxy-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-oxobutyl]piperidin-2-one;2,2,2-trifluoroacetic acid
CID 175915041
3-[2-amino-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxobutyl]pyrrolidin-2-one
CID 168941870
(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 162695553
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908
2-[[(2S)-2-amino-4-fluoro-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 175871162
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
[(3S)-3-amino-1-(cyclopropylamino)-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] acetate
CID 171088245
2-hydroxy-3-[hydroxy(methyl)amino]-N-methyl-4-(2-oxopyrrolidin-3-yl)butanamide
CID 157044307
(3S)-3-[(2S)-2-amino-3-oxo-4-(trifluoromethoxy)butyl]pyrrolidin-2-one;hydrochloride
CID 166170193

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid (CID 175915034) is (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)C(O)[C@@H](N)C[C@@H]1CCNC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid?
The InChIKey is FTMGBSRQFVPJCG-NKGRROCASA-N. The full InChI is InChI=1S/C10H19N3O3.C2HF3O2/c1-13(2)10(16)8(14)7(11)5-6-3-4-12-9(6)15;3-2(4,5)1(6)7/h6-8,14H,3-5,11H2,1-2H3,(H,12,15);(H,6,7)/t6-,7-,8?;/m0./s1.
What are the key properties of (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid?
(3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid has a molecular weight of 343.30 g/mol, XLogP of -1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-hydroxy-N,N-dimethyl-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175915034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).