4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one

C15H21N3O3 — CID 63607920

IUPAC4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H21N3O3/c1-15(2)14(21)17-7-8-18(15)13(20)12(16)9-10-3-5-11(19)6-4-10/h3-6,12,19H,7-9,16H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyLUYHJYWCQNWNCP-LBPRGKRZSA-N
MW291.35 g/mol
LogP-0.00
Rot. Bonds3

About 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one

4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63607920) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one
PubChem CID63607920
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H21N3O3/c1-15(2)14(21)17-7-8-18(15)13(20)12(16)9-10-3-5-11(19)6-4-10/h3-6,12,19H,7-9,16H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyLUYHJYWCQNWNCP-LBPRGKRZSA-N
XLogP-0.00
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one
CID 63607228
3,3-dimethyl-4-(3-phenyl-2-sulfanylpropanoyl)piperazin-2-one
CID 107029793
4-[(2S)-2-amino-4-methylsulfanylbutanoyl]-3,3-dimethylpiperazin-2-one
CID 55218249
2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 107404349
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;aziridin-2-one;dihydrate
CID 173239039
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148000
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 77111233
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63605973
4-[(4S)-4-amino-4-phenylbutanoyl]-3,3-dimethylpiperazin-2-one
CID 124555736

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one (CID 63607920) is 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is LUYHJYWCQNWNCP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2)14(21)17-7-8-18(15)13(20)12(16)9-10-3-5-11(19)6-4-10/h3-6,12,19H,7-9,16H2,1-2H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one?
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 291.35 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).