2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid

C18H24N2O5 — CID 146415843

IUPAC2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid
SMILESCC[C@H](C)CC[C@@]1(C)C(=O)C(C(=O)NCC(=O)O)=C(O)c2cccn21
InChIInChI=1S/C18H24N2O5/c1-4-11(2)7-8-18(3)16(24)14(17(25)19-10-13(21)22)15(23)12-6-5-9-20(12)18/h5-6,9,11,23H,4,7-8,10H2,1-3H3,(H,19,25)(H,21,22)/t11-,18-/m0/s1
InChIKeyUKAUXGFJCUCPER-VOJFVSQTSA-N
MW348.40 g/mol
LogP2.08
Rot. Bonds7

About 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid

2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid (PubChem CID 146415843) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid
PubChem CID146415843
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid
SMILESCC[C@H](C)CC[C@@]1(C)C(=O)C(C(=O)NCC(=O)O)=C(O)c2cccn21
InChIInChI=1S/C18H24N2O5/c1-4-11(2)7-8-18(3)16(24)14(17(25)19-10-13(21)22)15(23)12-6-5-9-20(12)18/h5-6,9,11,23H,4,7-8,10H2,1-3H3,(H,19,25)(H,21,22)/t11-,18-/m0/s1
InChIKeyUKAUXGFJCUCPER-VOJFVSQTSA-N
XLogP2.08
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]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

Related Compounds

ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate
CID 146400999
(2S)-2-amino-4-(8-hydroxy-5,5-dimethyl-6-oxoindolizin-7-yl)-4-oxobutanoic acid
CID 175093460
2-[(3'-tert-butyl-8'-hydroxy-6'-oxospiro[cyclopentane-1,5'-indolizine]-7'-carbonyl)amino]acetic acid
CID 146401033
2-[(1-hydroxy-4,4-dimethyl-3-oxo-7-phenyl-7,8-dihydronaphthalene-2-carbonyl)amino]acetic acid
CID 163919401
2-[[8'-hydroxy-3'-(4-methoxyphenyl)-6'-oxospiro[cyclopentane-1,5'-indolizine]-7'-carbonyl]amino]acetic acid
CID 146401055
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
2-[(1'-cyclopropyl-8'-hydroxy-6'-oxospiro[cyclopentane-1,5'-indolizine]-7'-carbonyl)amino]acetic acid;2-[(2'-cyclopropyl-8'-hydroxy-6'-oxospiro[cyclopentane-1,5'-indolizine]-7'-carbonyl)amino]acetic acid
CID 161456774
2-benzamidoacetic acid;hydrofluoride
CID 174760685
(4S)-1-hydroxy-4-methyl-4-(3-methylbutyl)-3-oxonaphthalene-2-carboxylic acid
CID 68871004
2-[[4-hydroxy-2,2-dimethyl-1-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid
CID 118177039
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 24831663
2-[[1-[(4-cyclopropylphenyl)methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid
CID 118176968

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid (CID 146415843) is 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid is CC[C@H](C)CC[C@@]1(C)C(=O)C(C(=O)NCC(=O)O)=C(O)c2cccn21.
What is the InChIKey of 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid?
The InChIKey is UKAUXGFJCUCPER-VOJFVSQTSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-4-11(2)7-8-18(3)16(24)14(17(25)19-10-13(21)22)15(23)12-6-5-9-20(12)18/h5-6,9,11,23H,4,7-8,10H2,1-3H3,(H,19,25)(H,21,22)/t11-,18-/m0/s1.
What are the key properties of 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid?
2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid has a molecular weight of 348.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-8-hydroxy-5-methyl-5-[(3S)-3-methylpentyl]-6-oxoindolizine-7-carbonyl]amino]acetic acid is sourced from PubChem (CID 146415843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).