2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid

C20H24N2O5 — CID 118176968

IUPAC2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid
SMILESCC1(C)CC(O)=C(C(=O)NCC(=O)O)C(=O)N1Cc1ccc(C2CC2)cc1
InChIInChI=1S/C20H24N2O5/c1-20(2)9-15(23)17(18(26)21-10-16(24)25)19(27)22(20)11-12-3-5-13(6-4-12)14-7-8-14/h3-6,14,23H,7-11H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyRTMYJEHZKQRLQQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.09
Rot. Bonds6

About 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid

2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid (PubChem CID 118176968) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid
PubChem CID118176968
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid
SMILESCC1(C)CC(O)=C(C(=O)NCC(=O)O)C(=O)N1Cc1ccc(C2CC2)cc1
InChIInChI=1S/C20H24N2O5/c1-20(2)9-15(23)17(18(26)21-10-16(24)25)19(27)22(20)11-12-3-5-13(6-4-12)14-7-8-14/h3-6,14,23H,7-11H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyRTMYJEHZKQRLQQ-UHFFFAOYSA-N
XLogP2.09
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid (CID 118176968) is 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid is CC1(C)CC(O)=C(C(=O)NCC(=O)O)C(=O)N1Cc1ccc(C2CC2)cc1.
What is the InChIKey of 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid?
The InChIKey is RTMYJEHZKQRLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-20(2)9-15(23)17(18(26)21-10-16(24)25)19(27)22(20)11-12-3-5-13(6-4-12)14-7-8-14/h3-6,14,23H,7-11H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid?
2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid has a molecular weight of 372.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 118176968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).