(4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid

C14H19NO6 — CID 27282578

IUPAC(4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid
SMILESCOc1cc(OC)c(C(=O)[C@@H](N)CCC(=O)O)c(OC)c1
InChIInChI=1S/C14H19NO6/c1-19-8-6-10(20-2)13(11(7-8)21-3)14(18)9(15)4-5-12(16)17/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeySLRIOPUZCHMQNP-VIFPVBQESA-N
MW297.31 g/mol
LogP1.09
Rot. Bonds8

About (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid

(4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid (PubChem CID 27282578) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid
PubChem CID27282578
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid
SMILESCOc1cc(OC)c(C(=O)[C@@H](N)CCC(=O)O)c(OC)c1
InChIInChI=1S/C14H19NO6/c1-19-8-6-10(20-2)13(11(7-8)21-3)14(18)9(15)4-5-12(16)17/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeySLRIOPUZCHMQNP-VIFPVBQESA-N
XLogP1.09
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid
CID 82348759
(4S)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744319
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744321
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
(2S)-2-aminopentanedioic acid;anisole
CID 70447699
(4S)-4-amino-5-(2,4-dimethoxyphenyl)pentanoic acid
CID 27282138
3-amino-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 116915625
4-amino-4-[5-(difluoromethyl)-2,4-dimethoxyphenyl]butanoic acid
CID 117467143
4-amino-4-(4-chloro-2,5-dimethoxyphenyl)butanoic acid
CID 117436981
4-amino-4-(4-fluoro-2,5-dimethoxyphenyl)butanoic acid
CID 117395965
5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
CID 60860649
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid?
The IUPAC name of (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid (CID 27282578) is (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid is COc1cc(OC)c(C(=O)[C@@H](N)CCC(=O)O)c(OC)c1.
What is the InChIKey of (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid?
The InChIKey is SLRIOPUZCHMQNP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19NO6/c1-19-8-6-10(20-2)13(11(7-8)21-3)14(18)9(15)4-5-12(16)17/h6-7,9H,4-5,15H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid?
(4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid has a molecular weight of 297.31 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid is sourced from PubChem (CID 27282578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).